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west-public
West
Commits
0c167185
Commit
0c167185
authored
Sep 28, 2019
by
Marco Govoni
Browse files
Included conversion to DBLE
parent
cfa2ff20
Changes
2
Hide whitespace changes
Inline
Side-by-side
IO_kernel/function3d.f90
View file @
0c167185
...
...
@@ -119,7 +119,7 @@ MODULE function3d
USE
cell_base
,
ONLY
:
celldm
,
at
USE
control_flags
,
ONLY
:
gamma_only
USE
mp_bands
,
ONLY
:
me_bgrp
USE
scatter_mod
,
ONLY
:
g
at
h
er_grid
USE
scatter_mod
,
ONLY
:
sc
at
t
er_grid
USE
fft_types
,
ONLY
:
fft_type_descriptor
USE
forpy_mod
,
ONLY
:
call_py
,
call_py_noret
,
import_py
,
module_py
USE
forpy_mod
,
ONLY
:
tuple
,
tuple_create
...
...
Wstat/apply_operator.f90
View file @
0c167185
...
...
@@ -106,6 +106,7 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq)
COMPLEX
(
DP
),
INTENT
(
IN
)
::
dvg
(
npwqx
,
m
)
COMPLEX
(
DP
),
INTENT
(
OUT
)
::
dng
(
npwqx
,
m
)
COMPLEX
(
DP
),
ALLOCATABLE
::
aux_r
(:)
REAL
(
DP
),
ALLOCATABLE
::
aux_r_double
(:)
CHARACTER
(
LEN
=
:),
ALLOCATABLE
::
filename
CHARACTER
(
LEN
=
:),
ALLOCATABLE
::
lockfile
!
...
...
@@ -114,6 +115,7 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq)
IF
(
iq
/
=
0
)
CALL
errore
(
"outsourced"
,
"iq /= 0 not allowed"
,
iq
)
!
ALLOCATE
(
aux_r
(
dffts
%
nnr
));
aux_r
=
0._DP
ALLOCATE
(
aux_r_double
(
dffts
%
nnr
));
aux_r
=
0._DP
!
! WRITE PERTURBATIONS TO FILE
!
...
...
@@ -126,7 +128,8 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq)
ENDIF
!
WRITE
(
filename
,
'("I.",I0,"_P.",I0,".xml")'
)
my_image_id
,
ipert
!CALL write_function3d(filename,aux_r,dffts)
aux_r_double
(:)
=
DBLE
(
aux_r
(:))
CALL
write_function3d
(
filename
,
aux_r_double
,
dffts
)
!
ENDDO
!
...
...
@@ -154,7 +157,8 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq)
DO
ipert
=
1
,
m
!
WRITE
(
filename
,
'("I.",I0,"_P.",I0,".xml.response")'
)
my_image_id
,
ipert
!CALL read_function3d(filename,aux_r,dffts)
CALL
read_function3d
(
filename
,
aux_r_double
,
dffts
)
aux_r
(:)
=
CMPLX
(
aux_r_double
(:),
0._DP
)
!
IF
(
gamma_only
)
THEN
CALL
single_fwfft_gamma
(
dffts
,
npwq
,
npwqx
,
aux_r
,
dng
(:,
ipert
),
TRIM
(
fftdriver
))
...
...
@@ -178,6 +182,7 @@ SUBROUTINE calc_outsourced (m,dvg,dng,iq)
ENDIF
!
DEALLOCATE
(
aux_r
)
DEALLOCATE
(
aux_r_double
)
!
END
SUBROUTINE
...
...
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