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fleur
fleur
Commits
8ef333e1
Commit
8ef333e1
authored
May 03, 2017
by
Daniel Wortmann
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Removed some debugging output/reminders from r_inpXML
parent
e0cb67ab
Changes
1
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8 deletions
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io/r_inpXML.F90
io/r_inpXML.F90
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io/r_inpXML.F90
View file @
8ef333e1
...
...
@@ -582,7 +582,7 @@ SUBROUTINE r_inpXML(&
valueString
=
TRIM
(
ADJUSTL
(
xmlGetAttributeValue
(
TRIM
(
ADJUSTL
(
xPathA
))//
'/qss'
)))
READ
(
valueString
,
*
)
noco
%
qss
(
1
),
noco
%
qss
(
2
),
noco
%
qss
(
3
)
WRITE
(
*
,
*
)
'Note: TODO: Calculation of q points!'
!
WRITE(*,*) 'Note: TODO: Calculation of q points!'
numberNodes
=
xmlGetNumberOfNodes
(
TRIM
(
ADJUSTL
(
xPathA
))//
'/qsc'
)
IF
(
numberNodes
.EQ.
1
)
THEN
...
...
@@ -591,8 +591,8 @@ SUBROUTINE r_inpXML(&
DO
i
=
1
,
3
noco
%
qss
(
i
)
=
noco
%
qss
(
i
)
/
qsc
(
i
)
END
DO
WRITE
(
*
,
*
)
'Note: TODO: Integrate qsc directly into qss in input file!'
WRITE
(
*
,
*
)
'(no problem for users)'
!
WRITE(*,*) 'Note: TODO: Integrate qsc directly into qss in input file!'
!
WRITE(*,*) '(no problem for users)'
END
IF
END
IF
...
...
@@ -826,7 +826,7 @@ SUBROUTINE r_inpXML(&
a3
(
2
)
=
evaluateFirst
(
valueString
)
a3
(
3
)
=
evaluateFirst
(
valueString
)
ELSE
WRITE
(
*
,
*
)
'Note: For film calculations only the upper left 2x2 part of the Bravais matrix is considered.'
!
WRITE(*,*) 'Note: For film calculations only the upper left 2x2 part of the Bravais matrix is considered.'
END
IF
END
IF
END
IF
! Note: Further ways to define lattices might be added later. (1D lattice,...)
...
...
@@ -1994,10 +1994,10 @@ SUBROUTINE r_inpXML(&
DO
i
=
1
,
3
bk
(
i
)
=
kpts
%
bk
(
i
,
ikpt
)
END
DO
IF
(
input
%
film
.OR.
oneD
%
odd
%
d1
)
THEN
WRITE
(
*
,
*
)
'There might be additional work required for the k points here!'
WRITE
(
*
,
*
)
'...in r_inpXML. See inpeig_dim for comparison!'
END
IF
!
IF (input%film .OR.oneD%odd%d1) THEN
!
WRITE(*,*) 'There might be additional work required for the k points here!'
!
WRITE(*,*) '...in r_inpXML. See inpeig_dim for comparison!'
!
END IF
CALL
apws_dim
(
bk
(:),
cell
,
input
,
noco
,
oneD
,
nv
,
nv2
,
kq1
,
kq2
,
kq3
)
stars
%
kq1_fft
=
max
(
kq1
,
stars
%
kq1_fft
)
stars
%
kq2_fft
=
max
(
kq2
,
stars
%
kq2_fft
)
...
...
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