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fleur
fleur
Commits
213a24dd
Commit
213a24dd
authored
Aug 09, 2017
by
Gregor Michalicek
Browse files
Make Fleur + Wannier routines compilable with gfortran
parent
4306f3d9
Changes
7
Hide whitespace changes
Inline
Side-by-side
wannier/abcof_small.F
View file @
213a24dd
...
...
@@ -88,9 +88,6 @@ C .. Local Arrays ..
#else
REAL
,
ALLOCATABLE
::
work
(:)
#endif
C
..
C
..
Intrinsic
Functions
..
INTRINSIC
cmplx
,
conjg
,
exp
,
sqrt
C
..
ci
=
cmplx
(
0.0
,
1.0
)
tpi
=
2
*
pimach
()
...
...
wannier/uhu/wann_uHu_od_vac.F
View file @
213a24dd
...
...
@@ -101,9 +101,6 @@ c ..local scalars..
real
,
allocatable
::
gdu
(:),
gdud
(:),
gdu_b
(:),
gdud_b
(:)
REAL
qssbti
(
3
,
2
)
c
..
intrinsic
functions
..
intrinsic
aimag
,
cmplx
,
conjg
,
real
,
sqrt
addnoco
=
0
addnoco2
=
0
if
(
l_noco
.and.
(
jspin
.eq.
2
))
then
...
...
wannier/wann_mmk0_vac.F
View file @
213a24dd
...
...
@@ -68,8 +68,6 @@ c ..local scalars..
integer
symvacvac
complex
av
,
bv
,
ic
,
c_1
integer
,
allocatable
::
kvac1
(:),
kvac2
(:),
map2
(:)
c
..
intrinsic
functions
..
intrinsic
aimag
,
cmplx
,
conjg
,
real
,
sqrt
allocate
(
ac
(
nv2d
,
neigd
),
bc
(
nv2d
,
neigd
),
dt
(
nv2d
),
+
dte
(
nv2d
),
t
(
nv2d
),
te
(
nv2d
),
tei
(
nv2d
),
...
...
wannier/wann_mmkb_od_vac.F
View file @
213a24dd
...
...
@@ -99,9 +99,6 @@ c ..local scalars..
real
,
allocatable
::
gbess
(:,:),
besss
(:)
REAL
qssbti
(
3
,
2
)
c
..
intrinsic
functions
..
intrinsic
aimag
,
cmplx
,
conjg
,
real
,
sqrt
addnoco
=
0
addnoco2
=
0
if
(
l_noco
.and.
(
jspin
.eq.
2
))
then
...
...
wannier/wann_mmkb_vac.F
View file @
213a24dd
...
...
@@ -76,8 +76,6 @@ c ..local scalars..
integer
,
allocatable
::
kvac1
(:),
kvac2
(:),
map2
(:)
integer
,
allocatable
::
kvac1_b
(:),
kvac2_b
(:),
map2_b
(:)
integer
symvac
,
symvacvac
c
..
intrinsic
functions
..
intrinsic
aimag
,
cmplx
,
conjg
,
real
,
sqrt
allocate
(
ac
(
nv2d
,
nslibd
),
bc
(
nv2d
,
nslibd
),
+
ac_b
(
nv2d
,
nslibd_b
),
bc_b
(
nv2d
,
nslibd_b
),
...
...
wannier/wann_real.F
View file @
213a24dd
...
...
@@ -70,9 +70,6 @@ C .. Local Arrays ..
REAL
rcc
(
3
),
x
(
3
),
rcc2
(
3
)
REAL
bqpt
(
3
)
C
..
C
..
Intrinsic
Functions
..
INTRINSIC
abs
,
real
,
sqrt
,
cos
,
sin
,
conjg
C
..
ci
=
cmplx
(
0.
,
1.
)
tpi
=
2
*
pimach
()
...
...
wannier/wann_wan90prep.F
View file @
213a24dd
...
...
@@ -204,7 +204,7 @@ c******************************************************
WRITE
(
*
,
*
)
'but the Wannier90 library is not linked.'
CALL
juDFT_error
(
"Wannier setup without Wannier90 library"
,
+
calledby
=
"wann_wan90prep"
)
#else
CPP_WANN
#else
call
wann_postproc_setup
(
>
natd
,
nkpts
,
kpoints
,
amat_ang
,
bmat_ang
,
>
num
,
num_bands
,
ntype
,
neq
,
...
...
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