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fleur
fleur
Commits
152bb25e
Commit
152bb25e
authored
Aug 07, 2018
by
Matthias Redies
Browse files
fixed variable order: input first, output last
parent
ebbaf8ed
Changes
3
Show whitespace changes
Inline
Side-by-side
cdn_mt/cdncore.F90
View file @
152bb25e
...
...
@@ -8,8 +8,8 @@ MODULE m_cdncore
CONTAINS
SUBROUTINE
cdncore
(
results
,
mpi
,
dimension
,
oneD
,
input
,
vacuum
,
noco
,
sym
,&
stars
,
cell
,
sphhar
,
atoms
,
vTot
,
outDen
,
moments
)
SUBROUTINE
cdncore
(
mpi
,
dimension
,
oneD
,
input
,
vacuum
,
noco
,
sym
,&
stars
,
cell
,
sphhar
,
atoms
,
vTot
,
outDen
,
moments
,
results
)
USE
m_constants
USE
m_cdn_io
...
...
@@ -26,21 +26,22 @@ SUBROUTINE cdncore(results,mpi,dimension,oneD,input,vacuum,noco,sym,&
IMPLICIT
NONE
TYPE
(
t_results
),
INTENT
(
INOUT
)
::
results
TYPE
(
t_mpi
),
INTENT
(
IN
)
::
mpi
TYPE
(
t_dimension
),
INTENT
(
IN
)
::
dimension
TYPE
(
t_oneD
),
INTENT
(
IN
)
::
oneD
TYPE
(
t_input
),
INTENT
(
IN
)
::
input
TYPE
(
t_vacuum
),
INTENT
(
IN
)
::
vacuum
TYPE
(
t_noco
),
INTENT
(
IN
)
::
noco
TYPE
(
t_sym
),
INTENT
(
IN
)
::
sym
TYPE
(
t_stars
),
INTENT
(
IN
)
::
stars
TYPE
(
t_cell
),
INTENT
(
IN
)
::
cell
TYPE
(
t_sphhar
),
INTENT
(
IN
)
::
sphhar
TYPE
(
t_atoms
),
INTENT
(
IN
)
::
atoms
TYPE
(
t_potden
),
INTENT
(
IN
)
::
vTot
TYPE
(
t_potden
),
INTENT
(
INOUT
)
::
outDen
TYPE
(
t_moments
),
INTENT
(
INOUT
)
::
moments
TYPE
(
t_mpi
),
INTENT
(
IN
)
::
mpi
TYPE
(
t_dimension
),
INTENT
(
IN
)
::
dimension
TYPE
(
t_oneD
),
INTENT
(
IN
)
::
oneD
TYPE
(
t_input
),
INTENT
(
IN
)
::
input
TYPE
(
t_vacuum
),
INTENT
(
IN
)
::
vacuum
TYPE
(
t_noco
),
INTENT
(
IN
)
::
noco
TYPE
(
t_sym
),
INTENT
(
IN
)
::
sym
TYPE
(
t_stars
),
INTENT
(
IN
)
::
stars
TYPE
(
t_cell
),
INTENT
(
IN
)
::
cell
TYPE
(
t_sphhar
),
INTENT
(
IN
)
::
sphhar
TYPE
(
t_atoms
),
INTENT
(
IN
)
::
atoms
TYPE
(
t_potden
),
INTENT
(
IN
)
::
vTot
TYPE
(
t_potden
),
INTENT
(
INOUT
)
::
outDen
TYPE
(
t_moments
),
INTENT
(
INOUT
)
::
moments
TYPE
(
t_results
),
INTENT
(
INOUT
)
::
results
INTEGER
::
jspin
,
n
,
iType
REAL
::
seig
,
rhoint
,
momint
...
...
main/cdngen.F90
View file @
152bb25e
...
...
@@ -138,8 +138,8 @@ SUBROUTINE cdngen(eig_id,mpi,input,banddos,sliceplot,vacuum,&
CALL
juDFT_end
(
"slice OK"
,
mpi
%
irank
)
END
IF
CALL
cdncore
(
results
,
mpi
,
dimension
,
oneD
,
input
,
vacuum
,
noco
,
sym
,&
stars
,
cell
,
sphhar
,
atoms
,
vTot
,
outDen
,
moments
)
CALL
cdncore
(
mpi
,
dimension
,
oneD
,
input
,
vacuum
,
noco
,
sym
,&
stars
,
cell
,
sphhar
,
atoms
,
vTot
,
outDen
,
moments
,
results
)
CALL
enpara
%
calcOutParams
(
input
,
atoms
,
vacuum
,
regCharges
)
...
...
rdmft/rdmft.F90
View file @
152bb25e
...
...
@@ -148,8 +148,8 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,cell,atoms,enpara,stars,vacuum,di
CALL
cdnval
(
eig_id
,
mpi
,
kpts
,
jsp
,
noco
,
input
,
banddos
,
cell
,
atoms
,
enpara
,
stars
,
vacuum
,
dimension
,&
sphhar
,
sym
,
vTot
,
oneD
,
cdnvalJob
,
overallDen
,
regCharges
,
dos
,
results
,
moments
)
END
DO
CALL
cdncore
(
results
,
mpi
,
dimension
,
oneD
,
input
,
vacuum
,
noco
,
sym
,&
stars
,
cell
,
sphhar
,
atoms
,
vTot
,
overallDen
,
moments
)
CALL
cdncore
(
mpi
,
dimension
,
oneD
,
input
,
vacuum
,
noco
,
sym
,&
stars
,
cell
,
sphhar
,
atoms
,
vTot
,
overallDen
,
moments
,
results
)
IF
(
mpi
%
irank
.EQ.
0
)
THEN
CALL
qfix
(
stars
,
atoms
,
sym
,
vacuum
,
sphhar
,
input
,
cell
,
oneD
,
overallDen
,
noco
%
l_noco
,
.TRUE.
,
.true.
,
fix
)
END
IF
...
...
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