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Searched refs:v4rho2sigmatau (Results 1 – 25 of 73) sorted by relevance

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/dports/science/libxc/libxc-5.0.0/src/
H A Dutil.c279 dim->v4rho2sigmalapl = dim->v4rho2sigmatau = dim->v4rho2lapl2 = dim->v4rho2lapltau = 1; in internal_counters_set_mgga()
319 dim->v4rho2sigmatau = 3*3*2; in internal_counters_set_mgga()
594 *v4rho2sigmatau += pos*dim->v4rho2sigmatau + offset; in internal_counters_mgga_random()
688 *v4rho2sigmatau += dim->v4rho2sigmatau + offset; in internal_counters_mgga_next()
782 *v4rho2sigmatau -= dim->v4rho2sigmatau + offset; in internal_counters_mgga_prev()
H A Dmgga.c146 assert(v4rho2sigmatau != NULL); in xc_mgga()
185 libxc_memset(v4rho2sigmatau, 0, dim->v4rho2sigmatau*np*sizeof(double)); in xc_mgga()
412 … double *v4rho2sigmalapl, double *v4rho2sigmatau, double *v4rho2lapl2, double *v4rho2lapltau, in xc_mgga_lxc() argument
426 v4rho2sigmalapl, v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, in xc_mgga_lxc()
H A Dlibxc_master.F90617 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
638 … v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
765 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
778 … v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1319 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, & argument
1339 … v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1354 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
1517 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, & argument
1529 … v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1538 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
H A Dxc.h104 P_ v4rho2sigmalapl, P_ v4rho2sigmatau, P_ v4rho2lapl2, P_ v4rho2lapltau, \
360 double *v4rho2sigmalapl, double *v4rho2sigmatau, double *v4rho2lapl2, double *v4rho2lapltau,
H A Dmix_func.c247 v4rho2sigmatau_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4rho2sigmatau); in xc_mix_func()
424 sum_var(v4rho2sigmatau); in xc_mix_func()
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_xc_lp90.c228 v4rho2sigmatau[0] = 0.0e0; in func_unpol()
543 v4rho2sigmatau[0] = 0.0e0; in func_ferr()
2049 v4rho2sigmatau[0] = 0.0e0; in func_pol()
2052 v4rho2sigmatau[1] = 0.0e0; in func_pol()
2055 v4rho2sigmatau[2] = 0.0e0; in func_pol()
2058 v4rho2sigmatau[3] = 0.0e0; in func_pol()
2061 v4rho2sigmatau[4] = 0.0e0; in func_pol()
2064 v4rho2sigmatau[5] = 0.0e0; in func_pol()
2067 v4rho2sigmatau[6] = 0.0e0; in func_pol()
2070 v4rho2sigmatau[7] = 0.0e0; in func_pol()
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H A Dmgga_xc_zlp.c259 v4rho2sigmatau[0] = 0.0e0; in func_unpol()
605 v4rho2sigmatau[0] = 0.0e0; in func_ferr()
2153 v4rho2sigmatau[0] = 0.0e0; in func_pol()
2156 v4rho2sigmatau[1] = 0.0e0; in func_pol()
2159 v4rho2sigmatau[2] = 0.0e0; in func_pol()
2162 v4rho2sigmatau[3] = 0.0e0; in func_pol()
2165 v4rho2sigmatau[4] = 0.0e0; in func_pol()
2168 v4rho2sigmatau[5] = 0.0e0; in func_pol()
2171 v4rho2sigmatau[6] = 0.0e0; in func_pol()
2174 v4rho2sigmatau[7] = 0.0e0; in func_pol()
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H A Dmgga_x_gdme.c245 v4rho2sigmatau[0] = 0.0e0; in func_unpol()
574 v4rho2sigmatau[0] = 0.0e0; in func_ferr()
2468 v4rho2sigmatau[0] = 0.0e0; in func_pol()
2471 v4rho2sigmatau[1] = 0.0e0; in func_pol()
2474 v4rho2sigmatau[2] = 0.0e0; in func_pol()
2477 v4rho2sigmatau[3] = 0.0e0; in func_pol()
2480 v4rho2sigmatau[4] = 0.0e0; in func_pol()
2483 v4rho2sigmatau[5] = 0.0e0; in func_pol()
2486 v4rho2sigmatau[6] = 0.0e0; in func_pol()
2489 v4rho2sigmatau[7] = 0.0e0; in func_pol()
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H A Dmgga_x_lta.c250 v4rho2sigmatau[0] = 0.0e0; in func_unpol()
579 v4rho2sigmatau[0] = 0.0e0; in func_ferr()
2458 v4rho2sigmatau[0] = 0.0e0; in func_pol()
2461 v4rho2sigmatau[1] = 0.0e0; in func_pol()
2464 v4rho2sigmatau[2] = 0.0e0; in func_pol()
2467 v4rho2sigmatau[3] = 0.0e0; in func_pol()
2470 v4rho2sigmatau[4] = 0.0e0; in func_pol()
2473 v4rho2sigmatau[5] = 0.0e0; in func_pol()
2476 v4rho2sigmatau[6] = 0.0e0; in func_pol()
2479 v4rho2sigmatau[7] = 0.0e0; in func_pol()
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H A Dmgga_x_rlda.c329 v4rho2sigmatau[0] = 0.0e0; in func_unpol()
757 v4rho2sigmatau[0] = 0.0e0; in func_ferr()
2736 v4rho2sigmatau[0] = 0.0e0; in func_pol()
2739 v4rho2sigmatau[1] = 0.0e0; in func_pol()
2742 v4rho2sigmatau[2] = 0.0e0; in func_pol()
2745 v4rho2sigmatau[3] = 0.0e0; in func_pol()
2748 v4rho2sigmatau[4] = 0.0e0; in func_pol()
2751 v4rho2sigmatau[5] = 0.0e0; in func_pol()
2754 v4rho2sigmatau[6] = 0.0e0; in func_pol()
2757 v4rho2sigmatau[7] = 0.0e0; in func_pol()
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H A Dmgga_c_cs.c273 v4rho2sigmatau[0] = 0.0e0; in func_unpol()
527 v4rho2sigmatau[0] = 0.0e0; in func_ferr()
3086 v4rho2sigmatau[0] = 0.0e0; in func_pol()
3089 v4rho2sigmatau[1] = 0.0e0; in func_pol()
3092 v4rho2sigmatau[2] = 0.0e0; in func_pol()
3095 v4rho2sigmatau[3] = 0.0e0; in func_pol()
3098 v4rho2sigmatau[4] = 0.0e0; in func_pol()
3101 v4rho2sigmatau[5] = 0.0e0; in func_pol()
3104 v4rho2sigmatau[6] = 0.0e0; in func_pol()
3107 v4rho2sigmatau[7] = 0.0e0; in func_pol()
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H A Dmgga_x_2d_js17.c2844 v4rho2sigmatau[1] = 0.0e0; in func_pol()
2847 v4rho2sigmatau[2] = 0.0e0; in func_pol()
2850 v4rho2sigmatau[3] = 0.0e0; in func_pol()
2853 v4rho2sigmatau[4] = 0.0e0; in func_pol()
2865 v4rho2sigmatau[7] = 0.0e0; in func_pol()
2868 v4rho2sigmatau[8] = 0.0e0; in func_pol()
2871 v4rho2sigmatau[9] = 0.0e0; in func_pol()
2874 v4rho2sigmatau[10] = 0.0e0; in func_pol()
2888 v4rho2sigmatau[13] = 0.0e0; in func_pol()
2891 v4rho2sigmatau[14] = 0.0e0; in func_pol()
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H A Dmgga_x_gvt4.c3414 v4rho2sigmatau[1] = 0.0e0; in func_pol()
3417 v4rho2sigmatau[2] = 0.0e0; in func_pol()
3420 v4rho2sigmatau[3] = 0.0e0; in func_pol()
3423 v4rho2sigmatau[4] = 0.0e0; in func_pol()
3435 v4rho2sigmatau[7] = 0.0e0; in func_pol()
3438 v4rho2sigmatau[8] = 0.0e0; in func_pol()
3441 v4rho2sigmatau[9] = 0.0e0; in func_pol()
3444 v4rho2sigmatau[10] = 0.0e0; in func_pol()
3455 v4rho2sigmatau[13] = 0.0e0; in func_pol()
3458 v4rho2sigmatau[14] = 0.0e0; in func_pol()
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H A Dmgga_x_pkzb.c3345 v4rho2sigmatau[1] = 0.0e0; in func_pol()
3348 v4rho2sigmatau[2] = 0.0e0; in func_pol()
3351 v4rho2sigmatau[3] = 0.0e0; in func_pol()
3354 v4rho2sigmatau[4] = 0.0e0; in func_pol()
3370 v4rho2sigmatau[7] = 0.0e0; in func_pol()
3373 v4rho2sigmatau[8] = 0.0e0; in func_pol()
3376 v4rho2sigmatau[9] = 0.0e0; in func_pol()
3379 v4rho2sigmatau[10] = 0.0e0; in func_pol()
3396 v4rho2sigmatau[13] = 0.0e0; in func_pol()
3399 v4rho2sigmatau[14] = 0.0e0; in func_pol()
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H A Dhyb_mgga_x_dldf.c3622 v4rho2sigmatau[1] = 0.0e0; in func_pol()
3625 v4rho2sigmatau[2] = 0.0e0; in func_pol()
3628 v4rho2sigmatau[3] = 0.0e0; in func_pol()
3631 v4rho2sigmatau[4] = 0.0e0; in func_pol()
3643 v4rho2sigmatau[7] = 0.0e0; in func_pol()
3646 v4rho2sigmatau[8] = 0.0e0; in func_pol()
3649 v4rho2sigmatau[9] = 0.0e0; in func_pol()
3652 v4rho2sigmatau[10] = 0.0e0; in func_pol()
3666 v4rho2sigmatau[13] = 0.0e0; in func_pol()
3669 v4rho2sigmatau[14] = 0.0e0; in func_pol()
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H A Dmgga_xc_cc06.c378 v4rho2sigmatau[0] = 0.0e0; in func_unpol()
843 v4rho2sigmatau[0] = 0.0e0; in func_ferr()
3440 v4rho2sigmatau[0] = 0.0e0; in func_pol()
3443 v4rho2sigmatau[1] = 0.0e0; in func_pol()
3446 v4rho2sigmatau[2] = 0.0e0; in func_pol()
3449 v4rho2sigmatau[3] = 0.0e0; in func_pol()
3452 v4rho2sigmatau[4] = 0.0e0; in func_pol()
3455 v4rho2sigmatau[5] = 0.0e0; in func_pol()
3458 v4rho2sigmatau[6] = 0.0e0; in func_pol()
3461 v4rho2sigmatau[7] = 0.0e0; in func_pol()
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H A Dmgga_x_tau_hcth.c3621 v4rho2sigmatau[1] = 0.0e0; in func_pol()
3624 v4rho2sigmatau[2] = 0.0e0; in func_pol()
3627 v4rho2sigmatau[3] = 0.0e0; in func_pol()
3630 v4rho2sigmatau[4] = 0.0e0; in func_pol()
3643 v4rho2sigmatau[7] = 0.0e0; in func_pol()
3646 v4rho2sigmatau[8] = 0.0e0; in func_pol()
3649 v4rho2sigmatau[9] = 0.0e0; in func_pol()
3652 v4rho2sigmatau[10] = 0.0e0; in func_pol()
3665 v4rho2sigmatau[13] = 0.0e0; in func_pol()
3668 v4rho2sigmatau[14] = 0.0e0; in func_pol()
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H A Dmgga_x_gx.c5312 v4rho2sigmatau[1] = 0.0e0; in func_pol()
5315 v4rho2sigmatau[2] = 0.0e0; in func_pol()
5318 v4rho2sigmatau[3] = 0.0e0; in func_pol()
5321 v4rho2sigmatau[4] = 0.0e0; in func_pol()
5333 v4rho2sigmatau[7] = 0.0e0; in func_pol()
5336 v4rho2sigmatau[8] = 0.0e0; in func_pol()
5339 v4rho2sigmatau[9] = 0.0e0; in func_pol()
5342 v4rho2sigmatau[10] = 0.0e0; in func_pol()
5353 v4rho2sigmatau[13] = 0.0e0; in func_pol()
5356 v4rho2sigmatau[14] = 0.0e0; in func_pol()
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H A Dhyb_mgga_x_m05.c5609 v4rho2sigmatau[1] = 0.0e0; in func_pol()
5612 v4rho2sigmatau[2] = 0.0e0; in func_pol()
5615 v4rho2sigmatau[3] = 0.0e0; in func_pol()
5618 v4rho2sigmatau[4] = 0.0e0; in func_pol()
5630 v4rho2sigmatau[7] = 0.0e0; in func_pol()
5633 v4rho2sigmatau[8] = 0.0e0; in func_pol()
5636 v4rho2sigmatau[9] = 0.0e0; in func_pol()
5639 v4rho2sigmatau[10] = 0.0e0; in func_pol()
5653 v4rho2sigmatau[13] = 0.0e0; in func_pol()
5656 v4rho2sigmatau[14] = 0.0e0; in func_pol()
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H A Dmgga_x_mvs.c5488 v4rho2sigmatau[1] = 0.0e0; in func_pol()
5491 v4rho2sigmatau[2] = 0.0e0; in func_pol()
5494 v4rho2sigmatau[3] = 0.0e0; in func_pol()
5497 v4rho2sigmatau[4] = 0.0e0; in func_pol()
5513 v4rho2sigmatau[7] = 0.0e0; in func_pol()
5516 v4rho2sigmatau[8] = 0.0e0; in func_pol()
5519 v4rho2sigmatau[9] = 0.0e0; in func_pol()
5522 v4rho2sigmatau[10] = 0.0e0; in func_pol()
5541 v4rho2sigmatau[13] = 0.0e0; in func_pol()
5544 v4rho2sigmatau[14] = 0.0e0; in func_pol()
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H A Dmgga_x_pbe_gx.c6408 v4rho2sigmatau[1] = 0.0e0; in func_pol()
6411 v4rho2sigmatau[2] = 0.0e0; in func_pol()
6414 v4rho2sigmatau[3] = 0.0e0; in func_pol()
6417 v4rho2sigmatau[4] = 0.0e0; in func_pol()
6433 v4rho2sigmatau[7] = 0.0e0; in func_pol()
6436 v4rho2sigmatau[8] = 0.0e0; in func_pol()
6439 v4rho2sigmatau[9] = 0.0e0; in func_pol()
6442 v4rho2sigmatau[10] = 0.0e0; in func_pol()
6460 v4rho2sigmatau[13] = 0.0e0; in func_pol()
6463 v4rho2sigmatau[14] = 0.0e0; in func_pol()
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H A Dmgga_x_m06l.c6243 v4rho2sigmatau[1] = 0.0e0; in func_pol()
6246 v4rho2sigmatau[2] = 0.0e0; in func_pol()
6249 v4rho2sigmatau[3] = 0.0e0; in func_pol()
6252 v4rho2sigmatau[4] = 0.0e0; in func_pol()
6264 v4rho2sigmatau[7] = 0.0e0; in func_pol()
6267 v4rho2sigmatau[8] = 0.0e0; in func_pol()
6270 v4rho2sigmatau[9] = 0.0e0; in func_pol()
6273 v4rho2sigmatau[10] = 0.0e0; in func_pol()
6284 v4rho2sigmatau[13] = 0.0e0; in func_pol()
6287 v4rho2sigmatau[14] = 0.0e0; in func_pol()
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H A Dmgga_x_mvsb.c6344 v4rho2sigmatau[1] = 0.0e0; in func_pol()
6347 v4rho2sigmatau[2] = 0.0e0; in func_pol()
6350 v4rho2sigmatau[3] = 0.0e0; in func_pol()
6353 v4rho2sigmatau[4] = 0.0e0; in func_pol()
6369 v4rho2sigmatau[7] = 0.0e0; in func_pol()
6372 v4rho2sigmatau[8] = 0.0e0; in func_pol()
6375 v4rho2sigmatau[9] = 0.0e0; in func_pol()
6378 v4rho2sigmatau[10] = 0.0e0; in func_pol()
6397 v4rho2sigmatau[13] = 0.0e0; in func_pol()
6400 v4rho2sigmatau[14] = 0.0e0; in func_pol()
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/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901212 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
1233 v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1360 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
1373 v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
1966 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, & argument
1986 v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
2001 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
2164 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, & argument
2176 v4rho2sigmatau(*), v4rho2lapl2(*), v4rho2lapltau(*), v4rho2tau2(*), v4rhosigma3(*), & local
2185 v4rho2sigmatau, v4rho2lapl2, v4rho2lapltau, v4rho2tau2, v4rhosigma3, &
/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_vxc/
H A Dmgga_x_2d_prp10.c2364 v4rho2sigmatau[1] = 0.0e0; in func_pol()
2367 v4rho2sigmatau[2] = 0.0e0; in func_pol()
2370 v4rho2sigmatau[3] = 0.0e0; in func_pol()
2373 v4rho2sigmatau[4] = 0.0e0; in func_pol()
2376 v4rho2sigmatau[5] = 0.0e0; in func_pol()
2379 v4rho2sigmatau[6] = 0.0e0; in func_pol()
2382 v4rho2sigmatau[7] = 0.0e0; in func_pol()
2385 v4rho2sigmatau[8] = 0.0e0; in func_pol()
2388 v4rho2sigmatau[9] = 0.0e0; in func_pol()
2391 v4rho2sigmatau[10] = 0.0e0; in func_pol()
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