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fleur
fleur
Commits
2e9dd009
Commit
2e9dd009
authored
Jan 14, 2020
by
Alexander Neukirchen
1
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This really bothered me.
parent
fdf5cc1e
Changes
9
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9 changed files
with
12 additions
and
12 deletions
+12
-12
cmake/process_arguments.sh
cmake/process_arguments.sh
+2
-2
force/relaxation.F90
force/relaxation.F90
+1
-1
inpgen2/old_inp/rw_inp.f90
inpgen2/old_inp/rw_inp.f90
+1
-1
inpgen2/read_inpgen_input.f90
inpgen2/read_inpgen_input.f90
+1
-1
juDFT/check_arguments.F90
juDFT/check_arguments.F90
+1
-1
juDFT/hdf_accessprp.F90
juDFT/hdf_accessprp.F90
+2
-2
juDFT/time.F90
juDFT/time.F90
+1
-1
types/types_xcpot_inbuild.F90
types/types_xcpot_inbuild.F90
+2
-2
types/types_xcpot_inbuild_nofunction.F90
types/types_xcpot_inbuild_nofunction.F90
+1
-1
No files found.
cmake/process_arguments.sh
View file @
2e9dd009
...
...
@@ -33,7 +33,7 @@ do
-make
)
make_directly
=
1
;;
-warn_only
)
CLI_WARN_ONLY
=
1
;;
-d
)
debug
=
1
;;
-
*
)
error
=
"Unkown argument"
;;
-
*
)
error
=
"Unk
n
own argument"
;;
*
)
break
;;
# terminate while loop
esac
shift
...
...
@@ -58,7 +58,7 @@ then
fi
if
[
$#
-gt
0
]
then
error
=
"Extra unkown arguments"
error
=
"Extra unk
n
own arguments"
fi
#check if -h or -help was given as argument
...
...
force/relaxation.F90
View file @
2e9dd009
...
...
@@ -73,7 +73,7 @@ CONTAINS
ELSE
IF
(
input
%
forcemix
==
2
)
THEN
CALL
simple_bfgs
(
pos
,
force
,
displace
)
ELSE
CALL
juDFT_error
(
'
unk
own mixing scheme for forces'
,
calledby
=
'relaxation'
)
CALL
juDFT_error
(
'
Unkn
own mixing scheme for forces'
,
calledby
=
'relaxation'
)
END
IF
!Check for convergence of forces/displacements
...
...
inpgen2/old_inp/rw_inp.f90
View file @
2e9dd009
...
...
@@ -215,7 +215,7 @@
WRITE
(
6
,
9030
)
a2
(
1
),
a2
(
2
),
a2
(
3
)
ELSE
WRITE
(
6
,
*
)
'rw_inp: latnam '
,
latnam
,
' unknown'
CALL
juDFT_error
(
"Unkown lattice name"
,
calledby
=
"rw_inp"
)
CALL
juDFT_error
(
"Unk
n
own lattice name"
,
calledby
=
"rw_inp"
)
ENDIF
!
!
...
...
inpgen2/read_inpgen_input.f90
View file @
2e9dd009
...
...
@@ -100,7 +100,7 @@ CONTAINS
CASE
(
'gen '
,
'sym '
)
CALL
judft_error
(
"Specifying the symmetries no longer supported in inpgen"
)
CASE
default
CALL
judft_error
((
"Unkown input in:"
//
line
))
CALL
judft_error
((
"Unk
n
own input in:"
//
line
))
END
SELECT
ELSE
IF
(
aa
.ne.
0
)
THEN
...
...
juDFT/check_arguments.F90
View file @
2e9dd009
...
...
@@ -80,7 +80,7 @@ CONTAINS
END
IF
ENDDO
param_loop
IF
(
n
>
SIZE
(
params
))
THEN
PRINT
*
,
"Unkown command line argument:"
//
str
PRINT
*
,
"Unk
n
own command line argument:"
//
str
check_arguments
=
.FALSE.
END
IF
i
=
i
+1
...
...
juDFT/hdf_accessprp.F90
View file @
2e9dd009
...
...
@@ -129,8 +129,8 @@ module m_hdf_accessprp
ENDIF
ENDIF
#endif
write
(
0
,
*
)
"Driver name unkown:"
,
driver
call
judft_error
(
"Unkown driver"
,
calledby
=
"gf_io2dmat"
)
write
(
0
,
*
)
"Driver name unk
n
own:"
,
driver
call
judft_error
(
"Unk
n
own driver"
,
calledby
=
"gf_io2dmat"
)
ENDDO
readloop
100
close
(
999
)
...
...
juDFT/time.F90
View file @
2e9dd009
...
...
@@ -631,7 +631,7 @@ CONTAINS
!>
SUBROUTINE
juDFT_time_lastlocation
()
IF
(
ASSOCIATED
(
current_timer
))
THEN
WRITE
(
0
,
*
)
"Last kown location:"
WRITE
(
0
,
*
)
"Last k
n
own location:"
WRITE
(
0
,
*
)
"Last timer:"
,
current_timer
%
name
IF
(
lastline
>
0
)
THEN
WRITE
(
0
,
*
)
"File:"
,
TRIM
(
lastfile
),
":"
,
lastline
...
...
types/types_xcpot_inbuild.F90
View file @
2e9dd009
...
...
@@ -116,7 +116,7 @@ MODULE m_types_xcpot_inbuild
! if exact exchange calculation do nothing
vxc
=
0
ELSE
CALL
juDFT_error
(
"Unkown LDA potential"
,
calledby
=
"type xcpot"
)
CALL
juDFT_error
(
"Unk
n
own LDA potential"
,
calledby
=
"type xcpot"
)
ENDIF
ENDIF
!
...
...
@@ -194,7 +194,7 @@ MODULE m_types_xcpot_inbuild
ELSEIF
(
xcpot
%
is_name
(
"exx"
))
THEN
CALL
juDFT_error
(
'EXX should now be treated as a GGA functional'
,
calledby
=
'xcpot_get_exc'
)
ELSE
CALL
juDFT_error
(
"Unkown LDA potential"
,
calledby
=
"type xcpot"
)
CALL
juDFT_error
(
"Unk
n
own LDA potential"
,
calledby
=
"type xcpot"
)
ENDIF
ENDIF
!c-----> hartree units
...
...
types/types_xcpot_inbuild_nofunction.F90
View file @
2e9dd009
...
...
@@ -131,7 +131,7 @@ MODULE m_types_xcpot_inbuild_nofunction
xcpot
%
icorr
=
n
ENDIF
ENDDO
if
(
xcpot
%
icorr
==
0
)
CALL
judft_error
(
"Unkown xc-potential:"
//
xcpot
%
inbuild_name
,
calledby
=
"types_xcpot.F90"
)
if
(
xcpot
%
icorr
==
0
)
CALL
judft_error
(
"Unk
n
own xc-potential:"
//
xcpot
%
inbuild_name
,
calledby
=
"types_xcpot.F90"
)
IF
(
xcpot
%
l_relativistic
)
THEN
xcpot
%
DATA
%
krla
=
1
ELSE
...
...
Robin Hilgers
@hilgers
·
Jan 14, 2020
Developer
Thank you so much for that!
Thank you so much for that!
🤙🏻
1
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