Line data Source code
1 : !--------------------------------------------------------------------------------------------------!
2 : ! CP2K: A general program to perform molecular dynamics simulations !
3 : ! Copyright 2000-2025 CP2K developers group <https://cp2k.org> !
4 : ! !
5 : ! SPDX-License-Identifier: GPL-2.0-or-later !
6 : !--------------------------------------------------------------------------------------------------!
7 :
8 : !--------------------------------------------------------------------------------------------------!
9 : ! Copyright (c) 2008, 2009, Joost VandeVondele and Manuel Guidon !
10 : ! All rights reserved. !
11 : ! !
12 : ! Redistribution and use in source and binary forms, with or without !
13 : ! modification, are permitted provided that the following conditions are met: !
14 : ! * Redistributions of source code must retain the above copyright !
15 : ! notice, this list of conditions and the following disclaimer. !
16 : ! * Redistributions in binary form must reproduce the above copyright !
17 : ! notice, this list of conditions and the following disclaimer in the !
18 : ! documentation and/or other materials provided with the distribution. !
19 : ! !
20 : ! THIS SOFTWARE IS PROVIDED BY Joost VandeVondele and Manuel Guidon AS IS AND ANY !
21 : ! EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED !
22 : ! WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE !
23 : ! DISCLAIMED. IN NO EVENT SHALL Joost VandeVondele or Manuel Guidon BE LIABLE FOR ANY !
24 : ! DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES !
25 : ! (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; !
26 : ! LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND !
27 : ! ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT !
28 : ! (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS !
29 : ! SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. !
30 : !--------------------------------------------------------------------------------------------------!
31 :
32 : ! **************************************************************************************************
33 : !> \brief This module computes the basic integrals for the truncated coulomb operator
34 : !>
35 : !> res(1) =G_0(R,T)= ((2*erf(sqrt(t))+erf(R-sqrt(t))-erf(R+sqrt(t)))/sqrt(t))
36 : !>
37 : !> and up to 21 derivatives with respect to T
38 : !>
39 : !> res(n+1)=(-1)**n d^n/dT^n G_0(R,T)
40 : !>
41 : !> The function is only computed for values of R,T which fulfil
42 : !>
43 : !> R**2 - 11.0_dp*R + 0.0_dp < T < R**2 + 11.0_dp*R + 50.0_dp where R>=0 T>=0
44 : !>
45 : !> for T larger than the upper bound, 0 is returned
46 : !> (which is accurate at least up to 1.0E-16)
47 : !> while for T smaller than the lower bound, the caller is instructed
48 : !> to use the conventional gamma function instead
49 : !> (i.e. the limit of above expression for R to Infinity)
50 : !>
51 : !> \author Joost VandeVondele and Manuel Guidon
52 : !> \par History
53 : !> Nov 2008, 2009 Joost VandeVondele and Manuel Guidon
54 : !> May 2019 A. Bussy: Added a get_maxl_init function to get current status of nderiv_init and
55 : !> moved the file to common (made it accessible from aobasis, same place as gamma.F).
56 : ! **************************************************************************************************
57 : MODULE t_c_g0
58 : USE kinds, ONLY: dp
59 : USE message_passing, ONLY: mp_comm_type
60 : #include "../base/base_uses.f90"
61 :
62 : IMPLICIT NONE
63 : PRIVATE
64 :
65 : PUBLIC :: t_c_g0_n, init, free_C0, get_lmax_init
66 : REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE, SAVE :: C0
67 : INTEGER, PARAMETER :: degree = 13
68 : REAL(KIND=dp), PARAMETER :: target_error = 0.100000E-08
69 : INTEGER, PARAMETER :: nderiv_max = 21
70 : INTEGER, SAVE :: nderiv_init = -1
71 : INTEGER, SAVE :: patches = -1
72 :
73 : CONTAINS
74 :
75 : ! **************************************************************************************************
76 : !> \brief ...
77 : !> \param RES ...
78 : !> \param use_gamma ...
79 : !> \param R ...
80 : !> \param T ...
81 : !> \param NDERIV ...
82 : ! **************************************************************************************************
83 140172259 : SUBROUTINE t_c_g0_n(RES, use_gamma, R, T, NDERIV)
84 : REAL(KIND=dp), INTENT(OUT) :: RES(*)
85 : LOGICAL, INTENT(OUT) :: use_gamma
86 : REAL(KIND=dp), INTENT(IN) :: R, T
87 : INTEGER, INTENT(IN) :: NDERIV
88 :
89 : REAL(KIND=dp) :: lower, TG1, TG2, upper, X1, X2
90 :
91 140172259 : use_gamma = .FALSE.
92 140172259 : upper = R**2 + 11.0_dp*R + 50.0_dp
93 140172259 : lower = R**2 - 11.0_dp*R + 0.0_dp
94 140172259 : IF (T > upper) THEN
95 3099342 : RES(1:NDERIV + 1) = 0.0_dp
96 3125097 : RETURN
97 : END IF
98 139452351 : IF (R <= 11.0_dp) THEN
99 136680263 : X2 = R/11.0_dp
100 136680263 : upper = R**2 + 11.0_dp*R + 50.0_dp
101 136680263 : lower = 0.0_dp
102 136680263 : X1 = (T - lower)/(upper - lower)
103 136680263 : IF (X1 <= 0.500000000000000000E+00_dp) THEN
104 99853574 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
105 92889448 : IF (X2 <= 0.250000000000000000E+00_dp) THEN
106 74999232 : IF (X2 <= 0.125000000000000000E+00_dp) THEN
107 19681938 : IF (X1 <= 0.250000000000000000E+00_dp) THEN
108 9163691 : IF (X2 <= 0.625000000000000000E-01_dp) THEN
109 1189932 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
110 611851 : IF (X2 <= 0.312500000000000000E-01_dp) THEN
111 41576 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
112 16399 : IF (X2 <= 0.156250000000000000E-01_dp) THEN
113 0 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
114 0 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
115 0 : TG2 = (2*X2 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
116 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 1))
117 : ELSE
118 0 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
119 0 : TG2 = (2*X2 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
120 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 2))
121 : END IF
122 : ELSE
123 16399 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
124 8045 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
125 8045 : TG2 = (2*X2 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
126 8045 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 3))
127 : ELSE
128 8354 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
129 8354 : TG2 = (2*X2 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
130 8354 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 4))
131 : END IF
132 : END IF
133 : ELSE
134 25177 : IF (X2 <= 0.156250000000000000E-01_dp) THEN
135 0 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
136 0 : TG2 = (2*X2 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
137 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 5))
138 : ELSE
139 25177 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
140 25177 : TG2 = (2*X2 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
141 25177 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 6))
142 : END IF
143 : END IF
144 : ELSE
145 570275 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
146 301711 : IF (X2 <= 0.468750000000000000E-01_dp) THEN
147 132102 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
148 67752 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
149 67752 : TG2 = (2*X2 - 0.781250000000000000E-01_dp)*0.640000000000000000E+02_dp
150 67752 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 7))
151 : ELSE
152 64350 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
153 64350 : TG2 = (2*X2 - 0.781250000000000000E-01_dp)*0.640000000000000000E+02_dp
154 64350 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 8))
155 : END IF
156 : ELSE
157 169609 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
158 129780 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
159 129780 : TG2 = (2*X2 - 0.109375000000000000E+00_dp)*0.640000000000000000E+02_dp
160 129780 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 9))
161 : ELSE
162 39829 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
163 39829 : TG2 = (2*X2 - 0.109375000000000000E+00_dp)*0.640000000000000000E+02_dp
164 39829 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 10))
165 : END IF
166 : END IF
167 : ELSE
168 268564 : IF (X2 <= 0.468750000000000000E-01_dp) THEN
169 205389 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
170 205389 : TG2 = (2*X2 - 0.781250000000000000E-01_dp)*0.640000000000000000E+02_dp
171 205389 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 11))
172 : ELSE
173 63175 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
174 63175 : TG2 = (2*X2 - 0.109375000000000000E+00_dp)*0.640000000000000000E+02_dp
175 63175 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 12))
176 : END IF
177 : END IF
178 : END IF
179 : ELSE
180 578081 : IF (X2 <= 0.312500000000000000E-01_dp) THEN
181 50892 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
182 16164 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
183 16164 : TG2 = (2*X2 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
184 16164 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 13))
185 : ELSE
186 34728 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
187 34728 : TG2 = (2*X2 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
188 34728 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 14))
189 : END IF
190 : ELSE
191 527189 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
192 283055 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
193 283055 : TG2 = (2*X2 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
194 283055 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 15))
195 : ELSE
196 244134 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
197 244134 : TG2 = (2*X2 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
198 244134 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 16))
199 : END IF
200 : END IF
201 : END IF
202 : ELSE
203 7973759 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
204 3867671 : IF (X2 <= 0.937500000000000000E-01_dp) THEN
205 928836 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
206 599820 : IF (X2 <= 0.781250000000000000E-01_dp) THEN
207 272623 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
208 239449 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
209 239449 : TG2 = (2*X2 - 0.140625000000000000E+00_dp)*0.640000000000000000E+02_dp
210 239449 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 17))
211 : ELSE
212 33174 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
213 33174 : TG2 = (2*X2 - 0.140625000000000000E+00_dp)*0.640000000000000000E+02_dp
214 33174 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 18))
215 : END IF
216 : ELSE
217 327197 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
218 237010 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
219 237010 : TG2 = (2*X2 - 0.171875000000000000E+00_dp)*0.640000000000000000E+02_dp
220 237010 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 19))
221 : ELSE
222 90187 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
223 90187 : TG2 = (2*X2 - 0.171875000000000000E+00_dp)*0.640000000000000000E+02_dp
224 90187 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 20))
225 : END IF
226 : END IF
227 : ELSE
228 329016 : IF (X2 <= 0.781250000000000000E-01_dp) THEN
229 65752 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
230 65752 : TG2 = (2*X2 - 0.140625000000000000E+00_dp)*0.640000000000000000E+02_dp
231 65752 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 21))
232 : ELSE
233 263264 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
234 263264 : TG2 = (2*X2 - 0.171875000000000000E+00_dp)*0.640000000000000000E+02_dp
235 263264 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 22))
236 : END IF
237 : END IF
238 : ELSE
239 2938835 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
240 1511180 : IF (X2 <= 0.109375000000000000E+00_dp) THEN
241 705042 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
242 504551 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
243 504551 : TG2 = (2*X2 - 0.203125000000000000E+00_dp)*0.640000000000000000E+02_dp
244 504551 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 23))
245 : ELSE
246 200491 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
247 200491 : TG2 = (2*X2 - 0.203125000000000000E+00_dp)*0.640000000000000000E+02_dp
248 200491 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 24))
249 : END IF
250 : ELSE
251 806138 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
252 588394 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
253 588394 : TG2 = (2*X2 - 0.234375000000000000E+00_dp)*0.640000000000000000E+02_dp
254 588394 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 25))
255 : ELSE
256 217744 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
257 217744 : TG2 = (2*X2 - 0.234375000000000000E+00_dp)*0.640000000000000000E+02_dp
258 217744 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 26))
259 : END IF
260 : END IF
261 : ELSE
262 1427655 : IF (X2 <= 0.109375000000000000E+00_dp) THEN
263 593686 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
264 593686 : TG2 = (2*X2 - 0.203125000000000000E+00_dp)*0.640000000000000000E+02_dp
265 593686 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 27))
266 : ELSE
267 833969 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
268 833969 : TG2 = (2*X2 - 0.234375000000000000E+00_dp)*0.640000000000000000E+02_dp
269 833969 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 28))
270 : END IF
271 : END IF
272 : END IF
273 : ELSE
274 4106088 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
275 1987201 : IF (X2 <= 0.937500000000000000E-01_dp) THEN
276 342681 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
277 342681 : TG2 = (2*X2 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
278 342681 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 29))
279 : ELSE
280 1644520 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
281 1644520 : TG2 = (2*X2 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
282 1644520 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 30))
283 : END IF
284 : ELSE
285 2118887 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
286 2118887 : TG2 = (2*X2 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
287 2118887 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 31))
288 : END IF
289 : END IF
290 : END IF
291 : ELSE
292 10518247 : IF (X1 <= 0.375000000000000000E+00_dp) THEN
293 5580336 : TG1 = (2*X1 - 0.625000000000000000E+00_dp)*0.800000000000000000E+01_dp
294 5580336 : TG2 = (2*X2 - 0.125000000000000000E+00_dp)*0.800000000000000000E+01_dp
295 5580336 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 32))
296 : ELSE
297 4937911 : TG1 = (2*X1 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
298 4937911 : TG2 = (2*X2 - 0.125000000000000000E+00_dp)*0.800000000000000000E+01_dp
299 4937911 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 33))
300 : END IF
301 : END IF
302 : ELSE
303 55317294 : IF (X1 <= 0.250000000000000000E+00_dp) THEN
304 25639127 : IF (X2 <= 0.187500000000000000E+00_dp) THEN
305 15776335 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
306 8151832 : IF (X2 <= 0.156250000000000000E+00_dp) THEN
307 3856049 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
308 1896507 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
309 1291344 : IF (X2 <= 0.140625000000000000E+00_dp) THEN
310 568036 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
311 568036 : TG2 = (2*X2 - 0.265625000000000000E+00_dp)*0.640000000000000000E+02_dp
312 568036 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 34))
313 : ELSE
314 723308 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
315 723308 : TG2 = (2*X2 - 0.296875000000000000E+00_dp)*0.640000000000000000E+02_dp
316 723308 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 35))
317 : END IF
318 : ELSE
319 605163 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
320 605163 : TG2 = (2*X2 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
321 605163 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 36))
322 : END IF
323 : ELSE
324 1959542 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
325 859517 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
326 859517 : TG2 = (2*X2 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
327 859517 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 37))
328 : ELSE
329 1100025 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
330 1100025 : TG2 = (2*X2 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
331 1100025 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 38))
332 : END IF
333 : END IF
334 : ELSE
335 4295783 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
336 2774426 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
337 1916306 : IF (X2 <= 0.171875000000000000E+00_dp) THEN
338 793260 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
339 793260 : TG2 = (2*X2 - 0.328125000000000000E+00_dp)*0.640000000000000000E+02_dp
340 793260 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 39))
341 : ELSE
342 1123046 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
343 1123046 : TG2 = (2*X2 - 0.359375000000000000E+00_dp)*0.640000000000000000E+02_dp
344 1123046 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 40))
345 : END IF
346 : ELSE
347 858120 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
348 858120 : TG2 = (2*X2 - 0.343750000000000000E+00_dp)*0.320000000000000000E+02_dp
349 858120 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 41))
350 : END IF
351 : ELSE
352 1521357 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
353 1521357 : TG2 = (2*X2 - 0.343750000000000000E+00_dp)*0.320000000000000000E+02_dp
354 1521357 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 42))
355 : END IF
356 : END IF
357 : ELSE
358 7624503 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
359 3717235 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
360 3717235 : TG2 = (2*X2 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
361 3717235 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 43))
362 : ELSE
363 3907268 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
364 3907268 : TG2 = (2*X2 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
365 3907268 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 44))
366 : END IF
367 : END IF
368 : ELSE
369 9862792 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
370 6752344 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
371 5113571 : IF (X2 <= 0.218750000000000000E+00_dp) THEN
372 2697552 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
373 1889206 : IF (X2 <= 0.203125000000000000E+00_dp) THEN
374 958350 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
375 958350 : TG2 = (2*X2 - 0.390625000000000000E+00_dp)*0.640000000000000000E+02_dp
376 958350 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 45))
377 : ELSE
378 930856 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
379 930856 : TG2 = (2*X2 - 0.421875000000000000E+00_dp)*0.640000000000000000E+02_dp
380 930856 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 46))
381 : END IF
382 : ELSE
383 808346 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
384 808346 : TG2 = (2*X2 - 0.406250000000000000E+00_dp)*0.320000000000000000E+02_dp
385 808346 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 47))
386 : END IF
387 : ELSE
388 2416019 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
389 1820312 : IF (X2 <= 0.234375000000000000E+00_dp) THEN
390 841224 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
391 841224 : TG2 = (2*X2 - 0.453125000000000000E+00_dp)*0.640000000000000000E+02_dp
392 841224 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 48))
393 : ELSE
394 979088 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
395 979088 : TG2 = (2*X2 - 0.484375000000000000E+00_dp)*0.640000000000000000E+02_dp
396 979088 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 49))
397 : END IF
398 : ELSE
399 595707 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
400 595707 : TG2 = (2*X2 - 0.468750000000000000E+00_dp)*0.320000000000000000E+02_dp
401 595707 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 50))
402 : END IF
403 : END IF
404 : ELSE
405 1638773 : IF (X2 <= 0.218750000000000000E+00_dp) THEN
406 1014478 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
407 1014478 : TG2 = (2*X2 - 0.406250000000000000E+00_dp)*0.320000000000000000E+02_dp
408 1014478 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 51))
409 : ELSE
410 624295 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
411 624295 : TG2 = (2*X2 - 0.468750000000000000E+00_dp)*0.320000000000000000E+02_dp
412 624295 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 52))
413 : END IF
414 : END IF
415 : ELSE
416 3110448 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
417 1523191 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
418 1523191 : TG2 = (2*X2 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
419 1523191 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 53))
420 : ELSE
421 1587257 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
422 1587257 : TG2 = (2*X2 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
423 1587257 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 54))
424 : END IF
425 : END IF
426 : END IF
427 : ELSE
428 29678167 : IF (X1 <= 0.375000000000000000E+00_dp) THEN
429 13270996 : IF (X1 <= 0.312500000000000000E+00_dp) THEN
430 6107799 : TG1 = (2*X1 - 0.562500000000000000E+00_dp)*0.160000000000000000E+02_dp
431 6107799 : TG2 = (2*X2 - 0.375000000000000000E+00_dp)*0.800000000000000000E+01_dp
432 6107799 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 55))
433 : ELSE
434 7163197 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
435 7163197 : TG2 = (2*X2 - 0.375000000000000000E+00_dp)*0.800000000000000000E+01_dp
436 7163197 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 56))
437 : END IF
438 : ELSE
439 16407171 : TG1 = (2*X1 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
440 16407171 : TG2 = (2*X2 - 0.375000000000000000E+00_dp)*0.800000000000000000E+01_dp
441 16407171 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 57))
442 : END IF
443 : END IF
444 : END IF
445 : ELSE
446 17890216 : IF (X1 <= 0.250000000000000000E+00_dp) THEN
447 13734903 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
448 12312985 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
449 10509576 : IF (X2 <= 0.375000000000000000E+00_dp) THEN
450 6814005 : IF (X2 <= 0.312500000000000000E+00_dp) THEN
451 4057175 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
452 3179132 : IF (X2 <= 0.281250000000000000E+00_dp) THEN
453 1681038 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
454 1681038 : TG2 = (2*X2 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
455 1681038 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 58))
456 : ELSE
457 1498094 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
458 1498094 : TG2 = (2*X2 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
459 1498094 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 59))
460 : END IF
461 : ELSE
462 878043 : IF (X2 <= 0.281250000000000000E+00_dp) THEN
463 497692 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
464 497692 : TG2 = (2*X2 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
465 497692 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 60))
466 : ELSE
467 380351 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
468 380351 : TG2 = (2*X2 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
469 380351 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 61))
470 : END IF
471 : END IF
472 : ELSE
473 2756830 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
474 2243408 : IF (X2 <= 0.343750000000000000E+00_dp) THEN
475 1186710 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
476 1186710 : TG2 = (2*X2 - 0.656250000000000000E+00_dp)*0.320000000000000000E+02_dp
477 1186710 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 62))
478 : ELSE
479 1056698 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
480 1056698 : TG2 = (2*X2 - 0.718750000000000000E+00_dp)*0.320000000000000000E+02_dp
481 1056698 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 63))
482 : END IF
483 : ELSE
484 513422 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
485 513422 : TG2 = (2*X2 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
486 513422 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 64))
487 : END IF
488 : END IF
489 : ELSE
490 3695571 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
491 3222100 : IF (X2 <= 0.437500000000000000E+00_dp) THEN
492 2027853 : IF (X1 <= 0.156250000000000000E-01_dp) THEN
493 1822150 : TG1 = (2*X1 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
494 1822150 : TG2 = (2*X2 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
495 1822150 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 65))
496 : ELSE
497 205703 : TG1 = (2*X1 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
498 205703 : TG2 = (2*X2 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
499 205703 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 66))
500 : END IF
501 : ELSE
502 1194247 : IF (X1 <= 0.156250000000000000E-01_dp) THEN
503 1078528 : TG1 = (2*X1 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
504 1078528 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
505 1078528 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 67))
506 : ELSE
507 115719 : TG1 = (2*X1 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
508 115719 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
509 115719 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 68))
510 : END IF
511 : END IF
512 : ELSE
513 473471 : IF (X2 <= 0.437500000000000000E+00_dp) THEN
514 293576 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
515 293576 : TG2 = (2*X2 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
516 293576 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 69))
517 : ELSE
518 179895 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
519 179895 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
520 179895 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 70))
521 : END IF
522 : END IF
523 : END IF
524 : ELSE
525 1803409 : IF (X2 <= 0.375000000000000000E+00_dp) THEN
526 1369128 : IF (X2 <= 0.312500000000000000E+00_dp) THEN
527 903199 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
528 605072 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
529 605072 : TG2 = (2*X2 - 0.562500000000000000E+00_dp)*0.160000000000000000E+02_dp
530 605072 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 71))
531 : ELSE
532 298127 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
533 298127 : TG2 = (2*X2 - 0.562500000000000000E+00_dp)*0.160000000000000000E+02_dp
534 298127 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 72))
535 : END IF
536 : ELSE
537 465929 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
538 260834 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
539 260834 : TG2 = (2*X2 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
540 260834 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 73))
541 : ELSE
542 205095 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
543 205095 : TG2 = (2*X2 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
544 205095 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 74))
545 : END IF
546 : END IF
547 : ELSE
548 434281 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
549 232291 : IF (X2 <= 0.437500000000000000E+00_dp) THEN
550 153224 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
551 153224 : TG2 = (2*X2 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
552 153224 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 75))
553 : ELSE
554 79067 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
555 79067 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
556 79067 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 76))
557 : END IF
558 : ELSE
559 201990 : IF (X2 <= 0.437500000000000000E+00_dp) THEN
560 127980 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
561 127980 : TG2 = (2*X2 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
562 127980 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 77))
563 : ELSE
564 74010 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
565 74010 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
566 74010 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 78))
567 : END IF
568 : END IF
569 : END IF
570 : END IF
571 : ELSE
572 1421918 : IF (X2 <= 0.375000000000000000E+00_dp) THEN
573 1164840 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
574 525916 : IF (X2 <= 0.312500000000000000E+00_dp) THEN
575 283724 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
576 283724 : TG2 = (2*X2 - 0.562500000000000000E+00_dp)*0.160000000000000000E+02_dp
577 283724 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 79))
578 : ELSE
579 242192 : IF (X1 <= 0.156250000000000000E+00_dp) THEN
580 170056 : TG1 = (2*X1 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
581 170056 : TG2 = (2*X2 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
582 170056 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 80))
583 : ELSE
584 72136 : TG1 = (2*X1 - 0.343750000000000000E+00_dp)*0.320000000000000000E+02_dp
585 72136 : TG2 = (2*X2 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
586 72136 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 81))
587 : END IF
588 : END IF
589 : ELSE
590 638924 : IF (X2 <= 0.312500000000000000E+00_dp) THEN
591 533472 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
592 533472 : TG2 = (2*X2 - 0.562500000000000000E+00_dp)*0.160000000000000000E+02_dp
593 533472 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 82))
594 : ELSE
595 105452 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
596 105452 : TG2 = (2*X2 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
597 105452 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 83))
598 : END IF
599 : END IF
600 : ELSE
601 257078 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
602 187988 : IF (X2 <= 0.437500000000000000E+00_dp) THEN
603 114854 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
604 114854 : TG2 = (2*X2 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
605 114854 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 84))
606 : ELSE
607 73134 : IF (X1 <= 0.156250000000000000E+00_dp) THEN
608 45338 : TG1 = (2*X1 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
609 45338 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
610 45338 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 85))
611 : ELSE
612 27796 : TG1 = (2*X1 - 0.343750000000000000E+00_dp)*0.320000000000000000E+02_dp
613 27796 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
614 27796 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 86))
615 : END IF
616 : END IF
617 : ELSE
618 69090 : IF (X1 <= 0.218750000000000000E+00_dp) THEN
619 41826 : TG1 = (2*X1 - 0.406250000000000000E+00_dp)*0.320000000000000000E+02_dp
620 41826 : TG2 = (2*X2 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
621 41826 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 87))
622 : ELSE
623 27264 : TG1 = (2*X1 - 0.468750000000000000E+00_dp)*0.320000000000000000E+02_dp
624 27264 : TG2 = (2*X2 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
625 27264 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 88))
626 : END IF
627 : END IF
628 : END IF
629 : END IF
630 : ELSE
631 4155313 : IF (X1 <= 0.375000000000000000E+00_dp) THEN
632 1258508 : IF (X2 <= 0.375000000000000000E+00_dp) THEN
633 1120200 : IF (X1 <= 0.312500000000000000E+00_dp) THEN
634 523531 : TG1 = (2*X1 - 0.562500000000000000E+00_dp)*0.160000000000000000E+02_dp
635 523531 : TG2 = (2*X2 - 0.625000000000000000E+00_dp)*0.800000000000000000E+01_dp
636 523531 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 89))
637 : ELSE
638 596669 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
639 596669 : TG2 = (2*X2 - 0.625000000000000000E+00_dp)*0.800000000000000000E+01_dp
640 596669 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 90))
641 : END IF
642 : ELSE
643 138308 : IF (X1 <= 0.312500000000000000E+00_dp) THEN
644 69275 : IF (X1 <= 0.281250000000000000E+00_dp) THEN
645 33568 : TG1 = (2*X1 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
646 33568 : TG2 = (2*X2 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
647 33568 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 91))
648 : ELSE
649 35707 : TG1 = (2*X1 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
650 35707 : TG2 = (2*X2 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
651 35707 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 92))
652 : END IF
653 : ELSE
654 69033 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
655 69033 : TG2 = (2*X2 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
656 69033 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 93))
657 : END IF
658 : END IF
659 : ELSE
660 2896805 : IF (X1 <= 0.437500000000000000E+00_dp) THEN
661 1248430 : TG1 = (2*X1 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
662 1248430 : TG2 = (2*X2 - 0.750000000000000000E+00_dp)*0.400000000000000000E+01_dp
663 1248430 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 94))
664 : ELSE
665 1648375 : TG1 = (2*X1 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
666 1648375 : TG2 = (2*X2 - 0.750000000000000000E+00_dp)*0.400000000000000000E+01_dp
667 1648375 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 95))
668 : END IF
669 : END IF
670 : END IF
671 : END IF
672 : ELSE
673 6964126 : IF (X1 <= 0.250000000000000000E+00_dp) THEN
674 6688580 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
675 6427536 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
676 6043274 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
677 5766908 : IF (X1 <= 0.156250000000000000E-01_dp) THEN
678 5562098 : IF (X1 <= 0.781250000000000000E-02_dp) THEN
679 5409395 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
680 4046733 : TG1 = (2*X1 - 0.781250000000000000E-02_dp)*0.128000000000000000E+03_dp
681 4046733 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
682 4046733 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 96))
683 : ELSE
684 1362662 : TG1 = (2*X1 - 0.781250000000000000E-02_dp)*0.128000000000000000E+03_dp
685 1362662 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
686 1362662 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 97))
687 : END IF
688 : ELSE
689 152703 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
690 100890 : TG1 = (2*X1 - 0.234375000000000000E-01_dp)*0.128000000000000000E+03_dp
691 100890 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
692 100890 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 98))
693 : ELSE
694 51813 : TG1 = (2*X1 - 0.234375000000000000E-01_dp)*0.128000000000000000E+03_dp
695 51813 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
696 51813 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 99))
697 : END IF
698 : END IF
699 : ELSE
700 204810 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
701 133261 : TG1 = (2*X1 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
702 133261 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
703 133261 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 100))
704 : ELSE
705 71549 : TG1 = (2*X1 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
706 71549 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
707 71549 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 101))
708 : END IF
709 : END IF
710 : ELSE
711 276366 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
712 247457 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
713 188743 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
714 188743 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
715 188743 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 102))
716 : ELSE
717 58714 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
718 58714 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
719 58714 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 103))
720 : END IF
721 : ELSE
722 28909 : IF (X1 <= 0.468750000000000000E-01_dp) THEN
723 16576 : TG1 = (2*X1 - 0.781250000000000000E-01_dp)*0.640000000000000000E+02_dp
724 16576 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
725 16576 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 104))
726 : ELSE
727 12333 : TG1 = (2*X1 - 0.109375000000000000E+00_dp)*0.640000000000000000E+02_dp
728 12333 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
729 12333 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 105))
730 : END IF
731 : END IF
732 : END IF
733 : ELSE
734 384262 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
735 343717 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
736 224389 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
737 136736 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
738 136736 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
739 136736 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 106))
740 : ELSE
741 87653 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
742 87653 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
743 87653 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 107))
744 : END IF
745 : ELSE
746 119328 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
747 97793 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
748 97793 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
749 97793 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 108))
750 : ELSE
751 21535 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
752 21535 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
753 21535 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 109))
754 : END IF
755 : END IF
756 : ELSE
757 40545 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
758 26889 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
759 26889 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
760 26889 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 110))
761 : ELSE
762 13656 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
763 13656 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
764 13656 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 111))
765 : END IF
766 : END IF
767 : END IF
768 : ELSE
769 261044 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
770 244960 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
771 197353 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
772 80964 : IF (X1 <= 0.156250000000000000E+00_dp) THEN
773 36908 : TG1 = (2*X1 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
774 36908 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
775 36908 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 112))
776 : ELSE
777 44056 : TG1 = (2*X1 - 0.343750000000000000E+00_dp)*0.320000000000000000E+02_dp
778 44056 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
779 44056 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 113))
780 : END IF
781 : ELSE
782 116389 : IF (X1 <= 0.218750000000000000E+00_dp) THEN
783 80933 : TG1 = (2*X1 - 0.406250000000000000E+00_dp)*0.320000000000000000E+02_dp
784 80933 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
785 80933 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 114))
786 : ELSE
787 35456 : TG1 = (2*X1 - 0.468750000000000000E+00_dp)*0.320000000000000000E+02_dp
788 35456 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
789 35456 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 115))
790 : END IF
791 : END IF
792 : ELSE
793 47607 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
794 24059 : IF (X1 <= 0.156250000000000000E+00_dp) THEN
795 6722 : TG1 = (2*X1 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
796 6722 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
797 6722 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 116))
798 : ELSE
799 17337 : TG1 = (2*X1 - 0.343750000000000000E+00_dp)*0.320000000000000000E+02_dp
800 17337 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
801 17337 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 117))
802 : END IF
803 : ELSE
804 23548 : IF (X1 <= 0.218750000000000000E+00_dp) THEN
805 8592 : TG1 = (2*X1 - 0.406250000000000000E+00_dp)*0.320000000000000000E+02_dp
806 8592 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
807 8592 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 118))
808 : ELSE
809 14956 : TG1 = (2*X1 - 0.468750000000000000E+00_dp)*0.320000000000000000E+02_dp
810 14956 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
811 14956 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 119))
812 : END IF
813 : END IF
814 : END IF
815 : ELSE
816 16084 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
817 8247 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
818 6439 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
819 6439 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
820 6439 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 120))
821 : ELSE
822 1808 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
823 1808 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
824 1808 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 121))
825 : END IF
826 : ELSE
827 7837 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
828 6923 : IF (X1 <= 0.218750000000000000E+00_dp) THEN
829 3477 : TG1 = (2*X1 - 0.406250000000000000E+00_dp)*0.320000000000000000E+02_dp
830 3477 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
831 3477 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 122))
832 : ELSE
833 3446 : TG1 = (2*X1 - 0.468750000000000000E+00_dp)*0.320000000000000000E+02_dp
834 3446 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
835 3446 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 123))
836 : END IF
837 : ELSE
838 914 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
839 914 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
840 914 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 124))
841 : END IF
842 : END IF
843 : END IF
844 : END IF
845 : ELSE
846 275546 : IF (X1 <= 0.375000000000000000E+00_dp) THEN
847 186011 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
848 119929 : IF (X1 <= 0.312500000000000000E+00_dp) THEN
849 63517 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
850 51124 : IF (X1 <= 0.281250000000000000E+00_dp) THEN
851 17887 : TG1 = (2*X1 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
852 17887 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
853 17887 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 125))
854 : ELSE
855 33237 : TG1 = (2*X1 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
856 33237 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
857 33237 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 126))
858 : END IF
859 : ELSE
860 12393 : IF (X1 <= 0.281250000000000000E+00_dp) THEN
861 4860 : TG1 = (2*X1 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
862 4860 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
863 4860 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 127))
864 : ELSE
865 7533 : TG1 = (2*X1 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
866 7533 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
867 7533 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 128))
868 : END IF
869 : END IF
870 : ELSE
871 56412 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
872 48029 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
873 48029 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
874 48029 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 129))
875 : ELSE
876 8383 : IF (X1 <= 0.343750000000000000E+00_dp) THEN
877 2663 : TG1 = (2*X1 - 0.656250000000000000E+00_dp)*0.320000000000000000E+02_dp
878 2663 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
879 2663 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 130))
880 : ELSE
881 5720 : TG1 = (2*X1 - 0.718750000000000000E+00_dp)*0.320000000000000000E+02_dp
882 5720 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
883 5720 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 131))
884 : END IF
885 : END IF
886 : END IF
887 : ELSE
888 66082 : IF (X1 <= 0.312500000000000000E+00_dp) THEN
889 49950 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
890 40692 : IF (X1 <= 0.281250000000000000E+00_dp) THEN
891 25569 : TG1 = (2*X1 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
892 25569 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
893 25569 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 132))
894 : ELSE
895 15123 : TG1 = (2*X1 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
896 15123 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
897 15123 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 133))
898 : END IF
899 : ELSE
900 9258 : IF (X1 <= 0.281250000000000000E+00_dp) THEN
901 3973 : TG1 = (2*X1 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
902 3973 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
903 3973 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 134))
904 : ELSE
905 5285 : TG1 = (2*X1 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
906 5285 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
907 5285 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 135))
908 : END IF
909 : END IF
910 : ELSE
911 16132 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
912 12209 : IF (X1 <= 0.343750000000000000E+00_dp) THEN
913 2284 : TG1 = (2*X1 - 0.656250000000000000E+00_dp)*0.320000000000000000E+02_dp
914 2284 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
915 2284 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 136))
916 : ELSE
917 9925 : TG1 = (2*X1 - 0.718750000000000000E+00_dp)*0.320000000000000000E+02_dp
918 9925 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
919 9925 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 137))
920 : END IF
921 : ELSE
922 3923 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
923 3923 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
924 3923 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 138))
925 : END IF
926 : END IF
927 : END IF
928 : ELSE
929 89535 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
930 54499 : IF (X1 <= 0.437500000000000000E+00_dp) THEN
931 21731 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
932 15223 : TG1 = (2*X1 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
933 15223 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
934 15223 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 139))
935 : ELSE
936 6508 : TG1 = (2*X1 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
937 6508 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
938 6508 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 140))
939 : END IF
940 : ELSE
941 32768 : TG1 = (2*X1 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
942 32768 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
943 32768 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 141))
944 : END IF
945 : ELSE
946 35036 : IF (X1 <= 0.437500000000000000E+00_dp) THEN
947 32835 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
948 4184 : TG1 = (2*X1 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
949 4184 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
950 4184 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 142))
951 : ELSE
952 28651 : TG1 = (2*X1 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
953 28651 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
954 28651 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 143))
955 : END IF
956 : ELSE
957 2201 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
958 934 : TG1 = (2*X1 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
959 934 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
960 934 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 144))
961 : ELSE
962 1267 : TG1 = (2*X1 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
963 1267 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
964 1267 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 145))
965 : END IF
966 : END IF
967 : END IF
968 : END IF
969 : END IF
970 : END IF
971 : ELSE
972 36826689 : IF (X1 <= 0.750000000000000000E+00_dp) THEN
973 31112199 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
974 30956484 : IF (X1 <= 0.625000000000000000E+00_dp) THEN
975 19642308 : IF (X2 <= 0.250000000000000000E+00_dp) THEN
976 15708392 : TG1 = (2*X1 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
977 15708392 : TG2 = (2*X2 - 0.250000000000000000E+00_dp)*0.400000000000000000E+01_dp
978 15708392 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 146))
979 : ELSE
980 3933916 : TG1 = (2*X1 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
981 3933916 : TG2 = (2*X2 - 0.750000000000000000E+00_dp)*0.400000000000000000E+01_dp
982 3933916 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 147))
983 : END IF
984 : ELSE
985 11314176 : TG1 = (2*X1 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
986 11314176 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
987 11314176 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 148))
988 : END IF
989 : ELSE
990 155715 : IF (X1 <= 0.625000000000000000E+00_dp) THEN
991 85675 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
992 60400 : IF (X1 <= 0.562500000000000000E+00_dp) THEN
993 29962 : TG1 = (2*X1 - 0.106250000000000000E+01_dp)*0.160000000000000000E+02_dp
994 29962 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
995 29962 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 149))
996 : ELSE
997 30438 : TG1 = (2*X1 - 0.118750000000000000E+01_dp)*0.160000000000000000E+02_dp
998 30438 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
999 30438 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 150))
1000 : END IF
1001 : ELSE
1002 25275 : IF (X1 <= 0.562500000000000000E+00_dp) THEN
1003 13103 : TG1 = (2*X1 - 0.106250000000000000E+01_dp)*0.160000000000000000E+02_dp
1004 13103 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
1005 13103 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 151))
1006 : ELSE
1007 12172 : TG1 = (2*X1 - 0.118750000000000000E+01_dp)*0.160000000000000000E+02_dp
1008 12172 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
1009 12172 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 152))
1010 : END IF
1011 : END IF
1012 : ELSE
1013 70040 : IF (X1 <= 0.687500000000000000E+00_dp) THEN
1014 38592 : TG1 = (2*X1 - 0.131250000000000000E+01_dp)*0.160000000000000000E+02_dp
1015 38592 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1016 38592 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 153))
1017 : ELSE
1018 31448 : TG1 = (2*X1 - 0.143750000000000000E+01_dp)*0.160000000000000000E+02_dp
1019 31448 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1020 31448 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 154))
1021 : END IF
1022 : END IF
1023 : END IF
1024 : ELSE
1025 5714490 : TG1 = (2*X1 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
1026 5714490 : TG2 = (2*X2 - 0.100000000000000000E+01_dp)*0.100000000000000000E+01_dp
1027 5714490 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 155))
1028 : END IF
1029 : END IF
1030 : ELSE
1031 2772088 : IF (T < lower) THEN
1032 2405189 : use_gamma = .TRUE.
1033 2405189 : RETURN
1034 : END IF
1035 366899 : X2 = 11.0_dp/R
1036 366899 : X1 = (T - lower)/(upper - lower)
1037 366899 : IF (X1 <= 0.500000000000000000E+00_dp) THEN
1038 322837 : IF (X1 <= 0.250000000000000000E+00_dp) THEN
1039 48947 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
1040 0 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
1041 0 : IF (X2 <= 0.250000000000000000E+00_dp) THEN
1042 0 : TG1 = (2*X1 - 0.125000000000000000E+00_dp)*0.800000000000000000E+01_dp
1043 0 : TG2 = (2*X2 - 0.250000000000000000E+00_dp)*0.400000000000000000E+01_dp
1044 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 156))
1045 : ELSE
1046 0 : TG1 = (2*X1 - 0.125000000000000000E+00_dp)*0.800000000000000000E+01_dp
1047 0 : TG2 = (2*X2 - 0.750000000000000000E+00_dp)*0.400000000000000000E+01_dp
1048 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 157))
1049 : END IF
1050 : ELSE
1051 0 : TG1 = (2*X1 - 0.375000000000000000E+00_dp)*0.800000000000000000E+01_dp
1052 0 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1053 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 158))
1054 : END IF
1055 : ELSE
1056 48947 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
1057 46142 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
1058 4688 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
1059 0 : TG1 = (2*X1 - 0.125000000000000000E+00_dp)*0.800000000000000000E+01_dp
1060 0 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
1061 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 159))
1062 : ELSE
1063 4688 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
1064 3868 : TG1 = (2*X1 - 0.625000000000000000E-01_dp)*0.160000000000000000E+02_dp
1065 3868 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
1066 3868 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 160))
1067 : ELSE
1068 820 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
1069 820 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
1070 820 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 161))
1071 : END IF
1072 : END IF
1073 : ELSE
1074 41454 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
1075 33070 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
1076 3902 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
1077 2145 : IF (X2 <= 0.812500000000000000E+00_dp) THEN
1078 622 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
1079 622 : TG2 = (2*X2 - 0.156250000000000000E+01_dp)*0.160000000000000000E+02_dp
1080 622 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 162))
1081 : ELSE
1082 1523 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
1083 1523 : TG2 = (2*X2 - 0.168750000000000000E+01_dp)*0.160000000000000000E+02_dp
1084 1523 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 163))
1085 : END IF
1086 : ELSE
1087 1757 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
1088 1757 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
1089 1757 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 164))
1090 : END IF
1091 : ELSE
1092 29168 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
1093 23306 : IF (X2 <= 0.937500000000000000E+00_dp) THEN
1094 2670 : IF (X1 <= 0.156250000000000000E-01_dp) THEN
1095 2340 : IF (X2 <= 0.906250000000000000E+00_dp) THEN
1096 220 : TG1 = (2*X1 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
1097 220 : TG2 = (2*X2 - 0.178125000000000000E+01_dp)*0.320000000000000000E+02_dp
1098 220 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 165))
1099 : ELSE
1100 2120 : TG1 = (2*X1 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
1101 2120 : TG2 = (2*X2 - 0.184375000000000000E+01_dp)*0.320000000000000000E+02_dp
1102 2120 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 166))
1103 : END IF
1104 : ELSE
1105 330 : TG1 = (2*X1 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
1106 330 : TG2 = (2*X2 - 0.181250000000000000E+01_dp)*0.160000000000000000E+02_dp
1107 330 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 167))
1108 : END IF
1109 : ELSE
1110 20636 : IF (X1 <= 0.156250000000000000E-01_dp) THEN
1111 8830 : IF (X2 <= 0.968750000000000000E+00_dp) THEN
1112 4569 : IF (X1 <= 0.781250000000000000E-02_dp) THEN
1113 1860 : IF (X2 <= 0.953125000000000000E+00_dp) THEN
1114 998 : TG1 = (2*X1 - 0.781250000000000000E-02_dp)*0.128000000000000000E+03_dp
1115 998 : TG2 = (2*X2 - 0.189062500000000000E+01_dp)*0.640000000000000000E+02_dp
1116 998 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 168))
1117 : ELSE
1118 862 : TG1 = (2*X1 - 0.781250000000000000E-02_dp)*0.128000000000000000E+03_dp
1119 862 : TG2 = (2*X2 - 0.192187500000000000E+01_dp)*0.640000000000000000E+02_dp
1120 862 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 169))
1121 : END IF
1122 : ELSE
1123 2709 : TG1 = (2*X1 - 0.234375000000000000E-01_dp)*0.128000000000000000E+03_dp
1124 2709 : TG2 = (2*X2 - 0.190625000000000000E+01_dp)*0.320000000000000000E+02_dp
1125 2709 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 170))
1126 : END IF
1127 : ELSE
1128 4261 : IF (X1 <= 0.781250000000000000E-02_dp) THEN
1129 1726 : IF (X2 <= 0.984375000000000000E+00_dp) THEN
1130 665 : TG1 = (2*X1 - 0.781250000000000000E-02_dp)*0.128000000000000000E+03_dp
1131 665 : TG2 = (2*X2 - 0.195312500000000000E+01_dp)*0.640000000000000000E+02_dp
1132 665 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 171))
1133 : ELSE
1134 1061 : TG1 = (2*X1 - 0.781250000000000000E-02_dp)*0.128000000000000000E+03_dp
1135 1061 : TG2 = (2*X2 - 0.198437500000000000E+01_dp)*0.640000000000000000E+02_dp
1136 1061 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 172))
1137 : END IF
1138 : ELSE
1139 2535 : IF (X2 <= 0.984375000000000000E+00_dp) THEN
1140 633 : TG1 = (2*X1 - 0.234375000000000000E-01_dp)*0.128000000000000000E+03_dp
1141 633 : TG2 = (2*X2 - 0.195312500000000000E+01_dp)*0.640000000000000000E+02_dp
1142 633 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 173))
1143 : ELSE
1144 1902 : TG1 = (2*X1 - 0.234375000000000000E-01_dp)*0.128000000000000000E+03_dp
1145 1902 : TG2 = (2*X2 - 0.198437500000000000E+01_dp)*0.640000000000000000E+02_dp
1146 1902 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 174))
1147 : END IF
1148 : END IF
1149 : END IF
1150 : ELSE
1151 11806 : IF (X2 <= 0.968750000000000000E+00_dp) THEN
1152 2053 : TG1 = (2*X1 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
1153 2053 : TG2 = (2*X2 - 0.190625000000000000E+01_dp)*0.320000000000000000E+02_dp
1154 2053 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 175))
1155 : ELSE
1156 9753 : IF (X1 <= 0.234375000000000000E-01_dp) THEN
1157 4050 : TG1 = (2*X1 - 0.390625000000000000E-01_dp)*0.128000000000000000E+03_dp
1158 4050 : TG2 = (2*X2 - 0.196875000000000000E+01_dp)*0.320000000000000000E+02_dp
1159 4050 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 176))
1160 : ELSE
1161 5703 : TG1 = (2*X1 - 0.546875000000000000E-01_dp)*0.128000000000000000E+03_dp
1162 5703 : TG2 = (2*X2 - 0.196875000000000000E+01_dp)*0.320000000000000000E+02_dp
1163 5703 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 177))
1164 : END IF
1165 : END IF
1166 : END IF
1167 : END IF
1168 : ELSE
1169 5862 : IF (X2 <= 0.937500000000000000E+00_dp) THEN
1170 1079 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
1171 1079 : TG2 = (2*X2 - 0.181250000000000000E+01_dp)*0.160000000000000000E+02_dp
1172 1079 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 178))
1173 : ELSE
1174 4783 : IF (X1 <= 0.468750000000000000E-01_dp) THEN
1175 2782 : IF (X2 <= 0.968750000000000000E+00_dp) THEN
1176 489 : TG1 = (2*X1 - 0.781250000000000000E-01_dp)*0.640000000000000000E+02_dp
1177 489 : TG2 = (2*X2 - 0.190625000000000000E+01_dp)*0.320000000000000000E+02_dp
1178 489 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 179))
1179 : ELSE
1180 2293 : TG1 = (2*X1 - 0.781250000000000000E-01_dp)*0.640000000000000000E+02_dp
1181 2293 : TG2 = (2*X2 - 0.196875000000000000E+01_dp)*0.320000000000000000E+02_dp
1182 2293 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 180))
1183 : END IF
1184 : ELSE
1185 2001 : TG1 = (2*X1 - 0.109375000000000000E+00_dp)*0.640000000000000000E+02_dp
1186 2001 : TG2 = (2*X2 - 0.193750000000000000E+01_dp)*0.160000000000000000E+02_dp
1187 2001 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 181))
1188 : END IF
1189 : END IF
1190 : END IF
1191 : END IF
1192 : ELSE
1193 8384 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
1194 2881 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
1195 2881 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
1196 2881 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 182))
1197 : ELSE
1198 5503 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
1199 4174 : IF (X2 <= 0.937500000000000000E+00_dp) THEN
1200 925 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
1201 925 : TG2 = (2*X2 - 0.181250000000000000E+01_dp)*0.160000000000000000E+02_dp
1202 925 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 183))
1203 : ELSE
1204 3249 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
1205 3249 : TG2 = (2*X2 - 0.193750000000000000E+01_dp)*0.160000000000000000E+02_dp
1206 3249 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 184))
1207 : END IF
1208 : ELSE
1209 1329 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
1210 1329 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
1211 1329 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 185))
1212 : END IF
1213 : END IF
1214 : END IF
1215 : END IF
1216 : ELSE
1217 2805 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
1218 4 : TG1 = (2*X1 - 0.375000000000000000E+00_dp)*0.800000000000000000E+01_dp
1219 4 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
1220 4 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 186))
1221 : ELSE
1222 2801 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
1223 1498 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
1224 59 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
1225 59 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
1226 59 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 187))
1227 : ELSE
1228 1439 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
1229 1439 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
1230 1439 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 188))
1231 : END IF
1232 : ELSE
1233 1303 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
1234 1303 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
1235 1303 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 189))
1236 : END IF
1237 : END IF
1238 : END IF
1239 : END IF
1240 : ELSE
1241 273890 : IF (X1 <= 0.375000000000000000E+00_dp) THEN
1242 3507 : IF (X1 <= 0.312500000000000000E+00_dp) THEN
1243 93 : IF (X1 <= 0.281250000000000000E+00_dp) THEN
1244 67 : TG1 = (2*X1 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
1245 67 : TG2 = (2*X2 - 0.100000000000000000E+01_dp)*0.100000000000000000E+01_dp
1246 67 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 190))
1247 : ELSE
1248 26 : TG1 = (2*X1 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
1249 26 : TG2 = (2*X2 - 0.100000000000000000E+01_dp)*0.100000000000000000E+01_dp
1250 26 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 191))
1251 : END IF
1252 : ELSE
1253 3414 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
1254 0 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
1255 0 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1256 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 192))
1257 : ELSE
1258 3414 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
1259 3414 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1260 3414 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 193))
1261 : END IF
1262 : END IF
1263 : ELSE
1264 270383 : IF (X1 <= 0.437500000000000000E+00_dp) THEN
1265 49385 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
1266 1992 : TG1 = (2*X1 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
1267 1992 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1268 1992 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 194))
1269 : ELSE
1270 47393 : IF (X1 <= 0.406250000000000000E+00_dp) THEN
1271 14907 : TG1 = (2*X1 - 0.781250000000000000E+00_dp)*0.320000000000000000E+02_dp
1272 14907 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1273 14907 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 195))
1274 : ELSE
1275 32486 : TG1 = (2*X1 - 0.843750000000000000E+00_dp)*0.320000000000000000E+02_dp
1276 32486 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1277 32486 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 196))
1278 : END IF
1279 : END IF
1280 : ELSE
1281 220998 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
1282 132588 : TG1 = (2*X1 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
1283 132588 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1284 132588 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 197))
1285 : ELSE
1286 88410 : TG1 = (2*X1 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
1287 88410 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1288 88410 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 198))
1289 : END IF
1290 : END IF
1291 : END IF
1292 : END IF
1293 : ELSE
1294 44062 : IF (X1 <= 0.750000000000000000E+00_dp) THEN
1295 26661 : IF (X1 <= 0.625000000000000000E+00_dp) THEN
1296 17739 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
1297 3816 : IF (X1 <= 0.562500000000000000E+00_dp) THEN
1298 3772 : TG1 = (2*X1 - 0.106250000000000000E+01_dp)*0.160000000000000000E+02_dp
1299 3772 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1300 3772 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 199))
1301 : ELSE
1302 44 : TG1 = (2*X1 - 0.118750000000000000E+01_dp)*0.160000000000000000E+02_dp
1303 44 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1304 44 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 200))
1305 : END IF
1306 : ELSE
1307 13923 : IF (X1 <= 0.562500000000000000E+00_dp) THEN
1308 7796 : TG1 = (2*X1 - 0.106250000000000000E+01_dp)*0.160000000000000000E+02_dp
1309 7796 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1310 7796 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 201))
1311 : ELSE
1312 6127 : TG1 = (2*X1 - 0.118750000000000000E+01_dp)*0.160000000000000000E+02_dp
1313 6127 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1314 6127 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 202))
1315 : END IF
1316 : END IF
1317 : ELSE
1318 8922 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
1319 40 : IF (X1 <= 0.687500000000000000E+00_dp) THEN
1320 28 : TG1 = (2*X1 - 0.131250000000000000E+01_dp)*0.160000000000000000E+02_dp
1321 28 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1322 28 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 203))
1323 : ELSE
1324 12 : TG1 = (2*X1 - 0.143750000000000000E+01_dp)*0.160000000000000000E+02_dp
1325 12 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1326 12 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 204))
1327 : END IF
1328 : ELSE
1329 8882 : TG1 = (2*X1 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
1330 8882 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1331 8882 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 205))
1332 : END IF
1333 : END IF
1334 : ELSE
1335 17401 : IF (X1 <= 0.875000000000000000E+00_dp) THEN
1336 6480 : TG1 = (2*X1 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
1337 6480 : TG2 = (2*X2 - 0.100000000000000000E+01_dp)*0.100000000000000000E+01_dp
1338 6480 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 206))
1339 : ELSE
1340 10921 : TG1 = (2*X1 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
1341 10921 : TG2 = (2*X2 - 0.100000000000000000E+01_dp)*0.100000000000000000E+01_dp
1342 10921 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 207))
1343 : END IF
1344 : END IF
1345 : END IF
1346 : END IF
1347 : END SUBROUTINE t_c_g0_n
1348 :
1349 : ! **************************************************************************************************
1350 : !> \brief ...
1351 : !> \param Nder the number of derivatives that will actually be used
1352 : !> \param iunit contains the data file to initialize the table
1353 : !> \param mepos ...
1354 : !> \param group ...
1355 : ! **************************************************************************************************
1356 722 : SUBROUTINE init(Nder, iunit, mepos, group)
1357 : INTEGER, INTENT(IN) :: Nder, iunit, mepos
1358 :
1359 : CLASS(mp_comm_type), INTENT(IN) :: group
1360 :
1361 : INTEGER :: I
1362 722 : REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: chunk
1363 :
1364 722 : patches = 207
1365 722 : IF (Nder > nderiv_max) CPABORT("T_C_G0 init failed")
1366 722 : nderiv_init = Nder
1367 722 : IF (ALLOCATED(C0)) DEALLOCATE (C0)
1368 : ! round up to a multiple of 32 to give some generous alignment for each C0
1369 2888 : ALLOCATE (C0(32*((31 + (Nder + 1)*(degree + 1)*(degree + 2)/2)/32), patches))
1370 : ! init mpi'ed buffers to silence warnings under valgrind
1371 111115424 : C0 = 1.0E99_dp
1372 722 : IF (mepos == 0) THEN
1373 361 : ALLOCATE (chunk((nderiv_max + 1)*(degree + 1)*(degree + 2)/2))
1374 75088 : DO I = 1, patches
1375 74727 : READ (iunit, *) chunk
1376 54542998 : C0(1:(Nder + 1)*(degree + 1)*(degree + 2)/2, I) = chunk(1:(Nder + 1)*(degree + 1)*(degree + 2)/2)
1377 : END DO
1378 361 : DEALLOCATE (chunk)
1379 : END IF
1380 722 : CALL group%bcast(C0, 0)
1381 :
1382 722 : END SUBROUTINE init
1383 :
1384 : ! **************************************************************************************************
1385 : !> \brief ...
1386 : ! **************************************************************************************************
1387 344 : SUBROUTINE free_C0()
1388 344 : IF (ALLOCATED(C0)) DEALLOCATE (C0)
1389 344 : nderiv_init = -1
1390 344 : END SUBROUTINE free_C0
1391 :
1392 : ! **************************************************************************************************
1393 : !> \brief ...
1394 : !> \param RES ...
1395 : !> \param NDERIV ...
1396 : !> \param TG1 ...
1397 : !> \param TG2 ...
1398 : !> \param C0 ...
1399 : ! **************************************************************************************************
1400 137047162 : SUBROUTINE PD2VAL(RES, NDERIV, TG1, TG2, C0)
1401 : REAL(KIND=dp), INTENT(OUT) :: res(*)
1402 : INTEGER, INTENT(IN) :: NDERIV
1403 : REAL(KIND=dp), INTENT(IN) :: TG1, TG2, C0(105, *)
1404 :
1405 : REAL(KIND=dp), PARAMETER :: SQRT2 = 1.4142135623730950488016887242096980785696718753_dp
1406 :
1407 : INTEGER :: K
1408 : REAL(KIND=dp) :: T1(0:13), T2(0:13)
1409 :
1410 137047162 : T1(0) = 1.0_dp
1411 137047162 : T2(0) = 1.0_dp
1412 137047162 : T1(1) = SQRT2*TG1
1413 137047162 : T2(1) = SQRT2*TG2
1414 137047162 : T1(2) = 2*TG1*T1(1) - SQRT2
1415 137047162 : T2(2) = 2*TG2*T2(1) - SQRT2
1416 137047162 : T1(3) = 2*TG1*T1(2) - T1(1)
1417 137047162 : T2(3) = 2*TG2*T2(2) - T2(1)
1418 137047162 : T1(4) = 2*TG1*T1(3) - T1(2)
1419 137047162 : T2(4) = 2*TG2*T2(3) - T2(2)
1420 137047162 : T1(5) = 2*TG1*T1(4) - T1(3)
1421 137047162 : T2(5) = 2*TG2*T2(4) - T2(3)
1422 137047162 : T1(6) = 2*TG1*T1(5) - T1(4)
1423 137047162 : T2(6) = 2*TG2*T2(5) - T2(4)
1424 137047162 : T1(7) = 2*TG1*T1(6) - T1(5)
1425 137047162 : T2(7) = 2*TG2*T2(6) - T2(5)
1426 137047162 : T1(8) = 2*TG1*T1(7) - T1(6)
1427 137047162 : T2(8) = 2*TG2*T2(7) - T2(6)
1428 137047162 : T1(9) = 2*TG1*T1(8) - T1(7)
1429 137047162 : T2(9) = 2*TG2*T2(8) - T2(7)
1430 137047162 : T1(10) = 2*TG1*T1(9) - T1(8)
1431 137047162 : T2(10) = 2*TG2*T2(9) - T2(8)
1432 137047162 : T1(11) = 2*TG1*T1(10) - T1(9)
1433 137047162 : T2(11) = 2*TG2*T2(10) - T2(9)
1434 137047162 : T1(12) = 2*TG1*T1(11) - T1(10)
1435 137047162 : T2(12) = 2*TG2*T2(11) - T2(10)
1436 137047162 : T1(13) = 2*TG1*T1(12) - T1(11)
1437 137047162 : T2(13) = 2*TG2*T2(12) - T2(11)
1438 503920357 : DO K = 1, NDERIV + 1
1439 366873195 : RES(K) = 0.0_dp
1440 5503097925 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:13), C0(1:14, K))*T2(0)
1441 5136224730 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:12), C0(15:27, K))*T2(1)
1442 4769351535 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:11), C0(28:39, K))*T2(2)
1443 4402478340 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:10), C0(40:50, K))*T2(3)
1444 4035605145 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:9), C0(51:60, K))*T2(4)
1445 3668731950 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:8), C0(61:69, K))*T2(5)
1446 3301858755 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:7), C0(70:77, K))*T2(6)
1447 2934985560 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:6), C0(78:84, K))*T2(7)
1448 2568112365 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:5), C0(85:90, K))*T2(8)
1449 2201239170 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:4), C0(91:95, K))*T2(9)
1450 1834365975 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:3), C0(96:99, K))*T2(10)
1451 1467492780 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:2), C0(100:102, K))*T2(11)
1452 1100619585 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:1), C0(103:104, K))*T2(12)
1453 870793552 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:0), C0(105:105, K))*T2(13)
1454 : END DO
1455 137047162 : END SUBROUTINE PD2VAL
1456 :
1457 : ! **************************************************************************************************
1458 : !> \brief Returns the value of nderiv_init so that one can check if opening the potential file is
1459 : !> worhtwhile
1460 : !> \return ...
1461 : !> \author A. Bussy, 05.2019
1462 : ! **************************************************************************************************
1463 5664874 : FUNCTION get_lmax_init() RESULT(lmax_init)
1464 :
1465 : INTEGER :: lmax_init
1466 :
1467 5664874 : lmax_init = nderiv_init
1468 :
1469 5664874 : END FUNCTION get_lmax_init
1470 :
1471 : END MODULE t_c_g0
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