Commit 8ef333e1 authored by Daniel Wortmann's avatar Daniel Wortmann

Removed some debugging output/reminders from r_inpXML

parent e0cb67ab
...@@ -582,7 +582,7 @@ SUBROUTINE r_inpXML(& ...@@ -582,7 +582,7 @@ SUBROUTINE r_inpXML(&
valueString = TRIM(ADJUSTL(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/qss'))) valueString = TRIM(ADJUSTL(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/qss')))
READ(valueString,*) noco%qss(1), noco%qss(2), noco%qss(3) 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') numberNodes = xmlGetNumberOfNodes(TRIM(ADJUSTL(xPathA))//'/qsc')
IF (numberNodes.EQ.1) THEN IF (numberNodes.EQ.1) THEN
...@@ -591,8 +591,8 @@ SUBROUTINE r_inpXML(& ...@@ -591,8 +591,8 @@ SUBROUTINE r_inpXML(&
DO i = 1, 3 DO i = 1, 3
noco%qss(i) = noco%qss(i) / qsc(i) noco%qss(i) = noco%qss(i) / qsc(i)
END DO END DO
WRITE(*,*) 'Note: TODO: Integrate qsc directly into qss in input file!' !WRITE(*,*) 'Note: TODO: Integrate qsc directly into qss in input file!'
WRITE(*,*) '(no problem for users)' !WRITE(*,*) '(no problem for users)'
END IF END IF
END IF END IF
...@@ -826,7 +826,7 @@ SUBROUTINE r_inpXML(& ...@@ -826,7 +826,7 @@ SUBROUTINE r_inpXML(&
a3(2) = evaluateFirst(valueString) a3(2) = evaluateFirst(valueString)
a3(3) = evaluateFirst(valueString) a3(3) = evaluateFirst(valueString)
ELSE 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 END IF
END IF ! Note: Further ways to define lattices might be added later. (1D lattice,...) END IF ! Note: Further ways to define lattices might be added later. (1D lattice,...)
...@@ -1994,10 +1994,10 @@ SUBROUTINE r_inpXML(& ...@@ -1994,10 +1994,10 @@ SUBROUTINE r_inpXML(&
DO i = 1, 3 DO i = 1, 3
bk(i) = kpts%bk(i,ikpt) bk(i) = kpts%bk(i,ikpt)
END DO END DO
IF (input%film .OR.oneD%odd%d1) THEN !IF (input%film .OR.oneD%odd%d1) THEN
WRITE(*,*) 'There might be additional work required for the k points here!' ! WRITE(*,*) 'There might be additional work required for the k points here!'
WRITE(*,*) '...in r_inpXML. See inpeig_dim for comparison!' ! WRITE(*,*) '...in r_inpXML. See inpeig_dim for comparison!'
END IF !END IF
CALL apws_dim(bk(:),cell,input,noco,oneD,nv,nv2,kq1,kq2,kq3) CALL apws_dim(bk(:),cell,input,noco,oneD,nv,nv2,kq1,kq2,kq3)
stars%kq1_fft = max(kq1,stars%kq1_fft) stars%kq1_fft = max(kq1,stars%kq1_fft)
stars%kq2_fft = max(kq2,stars%kq2_fft) stars%kq2_fft = max(kq2,stars%kq2_fft)
......
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