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qbox
qbox-public
Commits
5e24b920
Commit
5e24b920
authored
Jan 25, 2018
by
Francois Gygi
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Plain Diff
Cleanup ExchangeOperator
parent
ccd020c0
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ExchangeOperator.C
src/ExchangeOperator.C
+0
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Xc.h
src/Xc.h
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src/ExchangeOperator.C
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src/Xc.h
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5e24b920
...
...
@@ -51,11 +51,12 @@ class Xc : public Var
v
==
"HF"
||
v
==
"PBE0"
||
v
==
"HSE"
||
v
==
"RSH"
||
v
==
"B3LYP"
)
)
{
if
(
ui
->
onpe0
()
)
cout
<<
" xc must be LDA, VWN, PBE, BLYP, "
<<
"HF, PBE0, HSE or B3LYP"
<<
endl
;
<<
"HF, PBE0, HSE
, RSH
or B3LYP"
<<
endl
;
return
1
;
}
...
...
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