/dports/science/libxc/libxc-5.0.0/src/ |
H A D | util.c | 286 dim->v4lapl2tau2 = dim->v4lapltau3 = dim->v4tau4 =1; in internal_counters_set_mgga() 344 dim->v4lapltau3 = 2*4; in internal_counters_set_mgga() 591 *v4lapltau3 += pos*dim->v4lapltau3 + offset; in internal_counters_mgga_random() 685 *v4lapltau3 += dim->v4lapltau3 + offset; in internal_counters_mgga_next() 779 *v4lapltau3 -= dim->v4lapltau3 + offset; in internal_counters_mgga_prev()
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H A D | mgga.c | 178 assert(v4lapltau3 != NULL); in xc_mgga() 217 libxc_memset(v4lapltau3, 0, dim->v4lapltau3 *np*sizeof(double)); in xc_mgga() 419 double *v4lapl2tau2, double *v4lapltau3, double *v4tau4) in xc_mgga_lxc() argument 433 v4lapl2tau2, v4lapltau3, v4tau4 in xc_mgga_lxc()
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H A D | libxc_master.F90 | 622 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & 643 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 770 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & 783 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 1324 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & argument 1344 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 1359 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & 1522 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & argument 1534 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 1543 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 &
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H A D | xc.h | 111 P_ v4lapl2tau2, P_ v4lapltau3, P_ v4tau4 367 double *v4lapl2tau2, double *v4lapltau3, double *v4tau4);
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H A D | mix_func.c | 272 v4lapltau3_ = (double *) libxc_malloc(sizeof(double)*np*dim->v4lapltau3); in xc_mix_func() 421 sum_var(v4lapltau3); in xc_mix_func()
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/dports/science/elk/elk-7.2.42/src/ |
H A D | libxcf90.f90 | 1217 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & 1238 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 1365 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & 1378 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 1971 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & argument 1991 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 2006 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & 2169 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 & argument 2181 v4lapl3tau(*), v4lapl2tau2(*), v4lapltau3(*), v4tau4(*) local 2190 v4lapl3tau, v4lapl2tau2, v4lapltau3, v4tau4 &
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_xc_lp90.c | 309 v4lapltau3[0] = 0.0e0; in func_unpol() 624 v4lapltau3[0] = 0.0e0; in func_ferr() 3288 v4lapltau3[0] = 0.0e0; in func_pol() 3291 v4lapltau3[1] = 0.0e0; in func_pol() 3294 v4lapltau3[2] = 0.0e0; in func_pol() 3297 v4lapltau3[3] = 0.0e0; in func_pol() 3300 v4lapltau3[4] = 0.0e0; in func_pol() 3303 v4lapltau3[5] = 0.0e0; in func_pol() 3306 v4lapltau3[6] = 0.0e0; in func_pol() 3309 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_xc_zlp.c | 340 v4lapltau3[0] = 0.0e0; in func_unpol() 686 v4lapltau3[0] = 0.0e0; in func_ferr() 3392 v4lapltau3[0] = 0.0e0; in func_pol() 3395 v4lapltau3[1] = 0.0e0; in func_pol() 3398 v4lapltau3[2] = 0.0e0; in func_pol() 3401 v4lapltau3[3] = 0.0e0; in func_pol() 3404 v4lapltau3[4] = 0.0e0; in func_pol() 3407 v4lapltau3[5] = 0.0e0; in func_pol() 3410 v4lapltau3[6] = 0.0e0; in func_pol() 3413 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_gdme.c | 326 v4lapltau3[0] = 0.0e0; in func_unpol() 655 v4lapltau3[0] = 0.0e0; in func_ferr() 3707 v4lapltau3[0] = 0.0e0; in func_pol() 3710 v4lapltau3[1] = 0.0e0; in func_pol() 3713 v4lapltau3[2] = 0.0e0; in func_pol() 3716 v4lapltau3[3] = 0.0e0; in func_pol() 3719 v4lapltau3[4] = 0.0e0; in func_pol() 3722 v4lapltau3[5] = 0.0e0; in func_pol() 3725 v4lapltau3[6] = 0.0e0; in func_pol() 3728 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_lta.c | 331 v4lapltau3[0] = 0.0e0; in func_unpol() 660 v4lapltau3[0] = 0.0e0; in func_ferr() 3727 v4lapltau3[0] = 0.0e0; in func_pol() 3730 v4lapltau3[1] = 0.0e0; in func_pol() 3733 v4lapltau3[2] = 0.0e0; in func_pol() 3736 v4lapltau3[3] = 0.0e0; in func_pol() 3739 v4lapltau3[4] = 0.0e0; in func_pol() 3742 v4lapltau3[5] = 0.0e0; in func_pol() 3745 v4lapltau3[6] = 0.0e0; in func_pol() 3748 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_rlda.c | 429 v4lapltau3[0] = -0.3e1 / 0.16e2 * t40 * t41 * t522; in func_unpol() 857 v4lapltau3[0] = -0.3e1 / 0.8e1 * t34 * t35 * t504; in func_ferr() 4044 v4lapltau3[0] = -0.3e1 / 0.8e1 * t145 * t146 * t3429; in func_pol() 4047 v4lapltau3[1] = 0.0e0; in func_pol() 4050 v4lapltau3[2] = 0.0e0; in func_pol() 4053 v4lapltau3[3] = 0.0e0; in func_pol() 4056 v4lapltau3[4] = 0.0e0; in func_pol() 4059 v4lapltau3[5] = 0.0e0; in func_pol() 4062 v4lapltau3[6] = 0.0e0; in func_pol() 4066 v4lapltau3[7] = -0.3e1 / 0.8e1 * t145 * t155 * t3434; in func_pol()
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H A D | mgga_c_cs.c | 354 v4lapltau3[0] = 0.0e0; in func_unpol() 608 v4lapltau3[0] = 0.0e0; in func_ferr() 4325 v4lapltau3[0] = 0.0e0; in func_pol() 4328 v4lapltau3[1] = 0.0e0; in func_pol() 4331 v4lapltau3[2] = 0.0e0; in func_pol() 4334 v4lapltau3[3] = 0.0e0; in func_pol() 4337 v4lapltau3[4] = 0.0e0; in func_pol() 4340 v4lapltau3[5] = 0.0e0; in func_pol() 4343 v4lapltau3[6] = 0.0e0; in func_pol() 4346 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_2d_js17.c | 419 v4lapltau3[0] = 0.0e0; in func_unpol() 833 v4lapltau3[0] = 0.0e0; in func_ferr() 4108 v4lapltau3[0] = 0.0e0; in func_pol() 4111 v4lapltau3[1] = 0.0e0; in func_pol() 4114 v4lapltau3[2] = 0.0e0; in func_pol() 4117 v4lapltau3[3] = 0.0e0; in func_pol() 4120 v4lapltau3[4] = 0.0e0; in func_pol() 4123 v4lapltau3[5] = 0.0e0; in func_pol() 4126 v4lapltau3[6] = 0.0e0; in func_pol() 4129 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_gvt4.c | 609 v4lapltau3[0] = 0.0e0; in func_unpol() 1199 v4lapltau3[0] = 0.0e0; in func_ferr() 4709 v4lapltau3[0] = 0.0e0; in func_pol() 4712 v4lapltau3[1] = 0.0e0; in func_pol() 4715 v4lapltau3[2] = 0.0e0; in func_pol() 4718 v4lapltau3[3] = 0.0e0; in func_pol() 4721 v4lapltau3[4] = 0.0e0; in func_pol() 4724 v4lapltau3[5] = 0.0e0; in func_pol() 4727 v4lapltau3[6] = 0.0e0; in func_pol() 4730 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_pkzb.c | 500 v4lapltau3[0] = 0.0e0; in func_unpol() 989 v4lapltau3[0] = 0.0e0; in func_ferr() 4666 v4lapltau3[0] = 0.0e0; in func_pol() 4669 v4lapltau3[1] = 0.0e0; in func_pol() 4672 v4lapltau3[2] = 0.0e0; in func_pol() 4675 v4lapltau3[3] = 0.0e0; in func_pol() 4678 v4lapltau3[4] = 0.0e0; in func_pol() 4681 v4lapltau3[5] = 0.0e0; in func_pol() 4684 v4lapltau3[6] = 0.0e0; in func_pol() 4687 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | hyb_mgga_x_dldf.c | 523 v4lapltau3[0] = 0.0e0; in func_unpol() 1015 v4lapltau3[0] = 0.0e0; in func_ferr() 4904 v4lapltau3[0] = 0.0e0; in func_pol() 4907 v4lapltau3[1] = 0.0e0; in func_pol() 4910 v4lapltau3[2] = 0.0e0; in func_pol() 4913 v4lapltau3[3] = 0.0e0; in func_pol() 4916 v4lapltau3[4] = 0.0e0; in func_pol() 4919 v4lapltau3[5] = 0.0e0; in func_pol() 4922 v4lapltau3[6] = 0.0e0; in func_pol() 4925 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_xc_cc06.c | 462 v4lapltau3[0] = 0.0e0; in func_unpol() 927 v4lapltau3[0] = 0.0e0; in func_ferr() 4796 v4lapltau3[0] = 0.0e0; in func_pol() 4799 v4lapltau3[1] = 0.0e0; in func_pol() 4802 v4lapltau3[2] = 0.0e0; in func_pol() 4805 v4lapltau3[3] = 0.0e0; in func_pol() 4808 v4lapltau3[4] = 0.0e0; in func_pol() 4811 v4lapltau3[5] = 0.0e0; in func_pol() 4814 v4lapltau3[6] = 0.0e0; in func_pol() 4817 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_tau_hcth.c | 636 v4lapltau3[0] = 0.0e0; in func_unpol() 1262 v4lapltau3[0] = 0.0e0; in func_ferr() 4909 v4lapltau3[0] = 0.0e0; in func_pol() 4912 v4lapltau3[1] = 0.0e0; in func_pol() 4915 v4lapltau3[2] = 0.0e0; in func_pol() 4918 v4lapltau3[3] = 0.0e0; in func_pol() 4921 v4lapltau3[4] = 0.0e0; in func_pol() 4924 v4lapltau3[5] = 0.0e0; in func_pol() 4927 v4lapltau3[6] = 0.0e0; in func_pol() 4930 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_gx.c | 1189 v4lapltau3[0] = 0.0e0; in func_unpol() 2246 v4lapltau3[0] = 0.0e0; in func_ferr() 6695 v4lapltau3[0] = 0.0e0; in func_pol() 6698 v4lapltau3[1] = 0.0e0; in func_pol() 6701 v4lapltau3[2] = 0.0e0; in func_pol() 6704 v4lapltau3[3] = 0.0e0; in func_pol() 6707 v4lapltau3[4] = 0.0e0; in func_pol() 6710 v4lapltau3[5] = 0.0e0; in func_pol() 6713 v4lapltau3[6] = 0.0e0; in func_pol() 6716 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | hyb_mgga_x_m05.c | 996 v4lapltau3[0] = 0.0e0; in func_unpol() 2038 v4lapltau3[0] = 0.0e0; in func_ferr() 6978 v4lapltau3[0] = 0.0e0; in func_pol() 6981 v4lapltau3[1] = 0.0e0; in func_pol() 6984 v4lapltau3[2] = 0.0e0; in func_pol() 6987 v4lapltau3[3] = 0.0e0; in func_pol() 6990 v4lapltau3[4] = 0.0e0; in func_pol() 6993 v4lapltau3[5] = 0.0e0; in func_pol() 6996 v4lapltau3[6] = 0.0e0; in func_pol() 6999 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_mvs.c | 916 v4lapltau3[0] = 0.0e0; in func_unpol() 1788 v4lapltau3[0] = 0.0e0; in func_ferr() 6937 v4lapltau3[0] = 0.0e0; in func_pol() 6940 v4lapltau3[1] = 0.0e0; in func_pol() 6943 v4lapltau3[2] = 0.0e0; in func_pol() 6946 v4lapltau3[3] = 0.0e0; in func_pol() 6949 v4lapltau3[4] = 0.0e0; in func_pol() 6952 v4lapltau3[5] = 0.0e0; in func_pol() 6955 v4lapltau3[6] = 0.0e0; in func_pol() 6958 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_pbe_gx.c | 1240 v4lapltau3[0] = 0.0e0; in func_unpol() 2350 v4lapltau3[0] = 0.0e0; in func_ferr() 7828 v4lapltau3[0] = 0.0e0; in func_pol() 7831 v4lapltau3[1] = 0.0e0; in func_pol() 7834 v4lapltau3[2] = 0.0e0; in func_pol() 7837 v4lapltau3[3] = 0.0e0; in func_pol() 7840 v4lapltau3[4] = 0.0e0; in func_pol() 7843 v4lapltau3[5] = 0.0e0; in func_pol() 7846 v4lapltau3[6] = 0.0e0; in func_pol() 7849 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_m06l.c | 1307 v4lapltau3[0] = 0.0e0; in func_unpol() 2643 v4lapltau3[0] = 0.0e0; in func_ferr() 7637 v4lapltau3[0] = 0.0e0; in func_pol() 7640 v4lapltau3[1] = 0.0e0; in func_pol() 7643 v4lapltau3[2] = 0.0e0; in func_pol() 7646 v4lapltau3[3] = 0.0e0; in func_pol() 7649 v4lapltau3[4] = 0.0e0; in func_pol() 7652 v4lapltau3[5] = 0.0e0; in func_pol() 7655 v4lapltau3[6] = 0.0e0; in func_pol() 7658 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_mvsb.c | 1110 v4lapltau3[0] = 0.0e0; in func_unpol() 2198 v4lapltau3[0] = 0.0e0; in func_ferr() 7793 v4lapltau3[0] = 0.0e0; in func_pol() 7796 v4lapltau3[1] = 0.0e0; in func_pol() 7799 v4lapltau3[2] = 0.0e0; in func_pol() 7802 v4lapltau3[3] = 0.0e0; in func_pol() 7805 v4lapltau3[4] = 0.0e0; in func_pol() 7808 v4lapltau3[5] = 0.0e0; in func_pol() 7811 v4lapltau3[6] = 0.0e0; in func_pol() 7814 v4lapltau3[7] = 0.0e0; in func_pol()
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H A D | mgga_x_ms.c | 1355 v4lapltau3[0] = 0.0e0; in func_unpol() 2639 v4lapltau3[0] = 0.0e0; in func_ferr() 7569 v4lapltau3[0] = 0.0e0; in func_pol() 7572 v4lapltau3[1] = 0.0e0; in func_pol() 7575 v4lapltau3[2] = 0.0e0; in func_pol() 7578 v4lapltau3[3] = 0.0e0; in func_pol() 7581 v4lapltau3[4] = 0.0e0; in func_pol() 7584 v4lapltau3[5] = 0.0e0; in func_pol() 7587 v4lapltau3[6] = 0.0e0; in func_pol() 7590 v4lapltau3[7] = 0.0e0; in func_pol()
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