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fleur
fleur
Commits
acb2166b
Commit
acb2166b
authored
Feb 13, 2018
by
Gregor Michalicek
Browse files
Turn CPP_600 + anything but PW91 into a warning.
...it was an error before.
parent
48f15b16
Changes
1
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Inline
Side-by-side
vgen/vmtxcg.F90
View file @
acb2166b
...
...
@@ -152,7 +152,7 @@ CONTAINS
DO
200
n
=
n_start
,
atoms
%
ntype
,
n_stride
IF
(
xcpot
%
lda_atom
(
n
))
THEN
IF
((
.NOT.
xcpot
%
is_name
(
"pw91"
)))
CALL
judft_
error
(
"Using locally LDA only possible with pw91 functional"
)
IF
((
.NOT.
xcpot
%
is_name
(
"pw91"
)))
CALL
judft_
warn
(
"Using locally LDA only possible with pw91 functional"
)
CALL
xcpot_tmp
%
init
(
"l91"
,
.FALSE.
)
ENDIF
nat
=
sum
(
atoms
%
neq
(:
n
-1
))
+1
...
...
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