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fleur
fleur
Commits
3794b1b8
Commit
3794b1b8
authored
Oct 08, 2018
by
Daniel Wortmann
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Bugfix in ChASE interface
parent
149f5353
Changes
1
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5 additions
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3 deletions
+5
-3
diagonalization/chase_diag.F90
diagonalization/chase_diag.F90
+5
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diagonalization/chase_diag.F90
View file @
3794b1b8
...
...
@@ -121,7 +121,8 @@ CONTAINS
noco
%
l_noco
,
.TRUE.
,
l_real
,
noco
%
l_soc
,
.FALSE.
,
mpi
%
n_size
)
END
IF
END
SUBROUTINE
init_chase
#endif
SUBROUTINE
chase_diag
(
hmat
,
smat
,
ikpt
,
jsp
,
iter
,
ne
,
eig
,
zmat
)
USE
m_types_mpimat
USE
m_types
...
...
@@ -139,7 +140,7 @@ CONTAINS
INTEGER
,
INTENT
(
INOUT
)
::
ne
CLASS
(
t_mat
),
ALLOCATABLE
,
INTENT
(
OUT
)
::
zmat
REAL
,
INTENT
(
OUT
)
::
eig
(:)
#ifdef CPP_CHASE
!Choose serial or parallel solver
SELECT
TYPE
(
hmat
)
CLASS
is
(
t_mpimat
)
...
...
@@ -157,8 +158,9 @@ CONTAINS
CALL
judft_error
(
"Inconsistent matrix setup"
)
END
SELECT
END
SELECT
#endif
END
SUBROUTINE
chase_diag
#ifdef CPP_CHASE
SUBROUTINE
chase_diag_noMPI
(
hmat
,
smat
,
ikpt
,
jsp
,
iter
,
ne
,
eig
,
zmat
)
USE
m_types
...
...
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