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Patch from <susilehtola/erkale@d507f5c>. PR: 267358 Approved by: yuri (maintainer)
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,38 @@ | ||
--- src/dftfuncs.cpp.orig 2022-04-05 18:34:51 UTC | ||
+++ src/dftfuncs.cpp | ||
@@ -434,7 +434,7 @@ double exact_exchange(int func_id) { | ||
} | ||
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||
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||
-#if XC_MAJOR_VERSION >= 6 | ||
+#if XC_MAJOR_VERSION > 6 | ||
switch(xc_hyb_type(&func)) { | ||
case(XC_HYB_HYBRID): | ||
f=xc_hyb_exx_coef(&func); | ||
@@ -480,7 +480,7 @@ bool is_supported(int func_id) { | ||
throw std::runtime_error(oss.str()); | ||
} | ||
// Get flag | ||
-#if XC_MAJOR_VERSION >= 6 | ||
+#if XC_MAJOR_VERSION > 6 | ||
switch(xc_hyb_type(&func)) { | ||
case(XC_HYB_SEMILOCAL): | ||
case(XC_HYB_HYBRID): | ||
@@ -514,7 +514,7 @@ bool is_range_separated(int func_id, bool check) { | ||
oss << "Functional "<<func_id<<" not found!"; | ||
throw std::runtime_error(oss.str()); | ||
} | ||
-#if XC_MAJOR_VERSION >= 6 | ||
+#if XC_MAJOR_VERSION > 6 | ||
ans=(xc_hyb_type(&func) == XC_HYB_CAM); | ||
#else | ||
// Get flag | ||
@@ -571,7 +571,7 @@ void range_separation(int func_id, double & omega, dou | ||
xc_func_set_ext_params(&func, pars.memptr()); | ||
} | ||
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||
-#if XC_MAJOR_VERSION >= 6 | ||
+#if XC_MAJOR_VERSION > 6 | ||
switch(xc_hyb_type(&func)) { | ||
case(XC_HYB_HYBRID): | ||
case(XC_HYB_CAM): |