forked from Lainports/opnsense-ports
56 lines
2.1 KiB
C
56 lines
2.1 KiB
C
--- pyscf/lib/dft/libxc_itrf.c.orig 2022-09-03 00:05:50 UTC
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+++ pyscf/lib/dft/libxc_itrf.c
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@@ -453,7 +453,7 @@ int LIBXC_is_hybrid(int xc_id)
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raise_error -1;
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}
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-#if XC_MAJOR_VERSION < 6
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+#if XC_MAJOR_VERSION <= 6
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switch(func.info->family)
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{
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#ifdef XC_FAMILY_HYB_LDA
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@@ -483,7 +483,7 @@ double LIBXC_hybrid_coeff(int xc_id)
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raise_error 0.0;
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}
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-#if XC_MAJOR_VERSION < 6
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+#if XC_MAJOR_VERSION <= 6
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switch(func.info->family)
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{
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#ifdef XC_FAMILY_HYB_LDA
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@@ -530,7 +530,7 @@ void LIBXC_rsh_coeff(int xc_id, double *rsh_pars) {
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rsh_pars[1] = 0.0;
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rsh_pars[2] = 0.0;
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-#if XC_MAJOR_VERSION < 6
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+#if XC_MAJOR_VERSION <= 6
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XC(hyb_cam_coef)(&func, &rsh_pars[0], &rsh_pars[1], &rsh_pars[2]);
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#else
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switch(xc_hyb_type(&func)) {
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@@ -548,7 +548,7 @@ int LIBXC_is_cam_rsh(int xc_id) {
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fprintf(stderr, "XC functional %d not found\n", xc_id);
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raise_error -1;
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}
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-#if XC_MAJOR_VERSION < 6
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+#if XC_MAJOR_VERSION <= 6
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int is_cam = func.info->flags & XC_FLAGS_HYB_CAM;
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#else
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int is_cam = (xc_hyb_type(&func) == XC_HYB_CAM);
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@@ -793,7 +793,7 @@ void LIBXC_eval_xc(int nfn, int *fn_id, double *fac, d
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// set the range-separated parameter
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if (omega[i] != 0) {
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// skip if func is not a RSH functional
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-#if XC_MAJOR_VERSION < 6
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+#if XC_MAJOR_VERSION <= 6
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if (func.cam_omega != 0) {
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func.cam_omega = omega[i];
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}
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@@ -805,7 +805,7 @@ void LIBXC_eval_xc(int nfn, int *fn_id, double *fac, d
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// Recursively set the sub-functionals if they are RSH
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// functionals
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for (j = 0; j < func.n_func_aux; j++) {
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-#if XC_MAJOR_VERSION < 6
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+#if XC_MAJOR_VERSION <= 6
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if (func.func_aux[j]->cam_omega != 0) {
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func.func_aux[j]->cam_omega = omega[i];
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}
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