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fleur
fleur
Commits
72b9a18e
Commit
72b9a18e
authored
Aug 14, 2018
by
Gregor Michalicek
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Bugfix: Calculate stepfunction also if sliceplot%iplot is true
...it is needed for the qfix call in optional/pldngen.
parent
60c0f1c8
Changes
2
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2 changed files
with
4 additions
and
7 deletions
+4
-7
init/old_inp/setup.f90
init/old_inp/setup.f90
+2
-5
init/postprocessInput.F90
init/postprocessInput.F90
+2
-2
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init/old_inp/setup.f90
View file @
72b9a18e
...
...
@@ -178,15 +178,12 @@
CALL
prp_xcfft
(
stars
,
input
,
cell
,
xcpot
)
!
ENDIF
! (mpi%irank == 0)
CALL
stepf
(
sym
,
stars
,
atoms
,
oneD
,
input
,
cell
,
vacuum
,
mpi
)
IF
(
.NOT.
sliceplot
%
iplot
)
THEN
!
CALL
stepf
(
sym
,
stars
,
atoms
,
oneD
,
input
,
cell
,
vacuum
,
mpi
)
!
IF
(
mpi
%
irank
==
0
)
THEN
CALL
convn
(
DIMENSION
,
atoms
,
stars
)
!
!---> set up electric field parameters (if needed)
!
! CALL e_field(atoms, DIMENSION, stars, sym, vacuum, cell, input,field)
ENDIF
ENDIF
...
...
init/postprocessInput.F90
View file @
72b9a18e
...
...
@@ -540,8 +540,8 @@ SUBROUTINE postprocessInput(mpi,input,field,sym,stars,atoms,vacuum,obsolete,kpts
CALL
MPI_BCAST
(
sliceplot
%
iplot
,
1
,
MPI_LOGICAL
,
0
,
mpi
%
mpi_comm
,
ierr
)
#endif
IF
(
.NOT.
sliceplot
%
iplot
)
THEN
CALL
stepf
(
sym
,
stars
,
atoms
,
oneD
,
input
,
cell
,
vacuum
,
mpi
)
CALL
stepf
(
sym
,
stars
,
atoms
,
oneD
,
input
,
cell
,
vacuum
,
mpi
)
IF
(
.NOT.
sliceplot
%
iplot
)
THEN
IF
(
mpi
%
irank
.EQ.
0
)
THEN
CALL
convn
(
DIMENSION
,
atoms
,
stars
)
CALL
e_field
(
atoms
,
DIMENSION
,
stars
,
sym
,
vacuum
,
cell
,
input
,
field
%
efield
)
...
...
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