Commit ad3e211e authored by Gregor Michalicek's avatar Gregor Michalicek

Make fleur compile- and runnable again

...it was broken after the last commit. Don't know if it can be trusted
at the moment.
parent 529e4e3d
......@@ -65,7 +65,7 @@
LOGICAL :: isthere
! .. Local Arrays ..
INTEGER :: lmaxb(atoms_in%ntypd)
INTEGER :: lmaxb(atoms_in%ntype)
COMPLEX :: coeff(3,-1:1),qpw2(stars%n3d,size(qpw,2)),qpwcalc(stars%n3d,size(qpw,2))
REAL , ALLOCATABLE :: bsl(:,:,:)
COMPLEX, ALLOCATABLE :: pylm(:,:,:),rho(:),V(:),pylm2(:,:)
......
......@@ -204,7 +204,6 @@ CONTAINS
ALLOCATE(atoms_temp%l_dulo(atoms%nlod,atoms%ntype))
ALLOCATE(vacuum_temp%izlay(vacuum%layerd,2))
atoms_temp%ntypd = atoms%ntype
atoms_temp%ntype = atoms%ntype
ALLOCATE(noel_temp(atoms%ntype))
......
......@@ -448,13 +448,6 @@
STOP 'Error: No kpoint set generation for 1D systems yet!'
CALL od_kptsgen (kpts%nkpt)
END IF
kpts%nkpt = kpts%nkpt
ALLOCATE(kpts%wtkpt(kpts%nkpt))
DO i = 1, kpts%nkpt
kpts%wtkpt(i) = kpts%wtkpt(i)
END DO
kpts%nkpt = kpts%nkpt
!set latnam to any
cell%latnam = 'any'
......
......@@ -223,7 +223,7 @@ SUBROUTINE r_inpXML(&
! Check version of inp.xml
valueString = xmlGetAttributeValue('/fleurInput/@fleurInputVersion')
IF(TRIM(ADJUSTL(valueString)).NE.'0.27') THEN
IF((TRIM(ADJUSTL(valueString)).NE.'0.27').OR.(TRIM(ADJUSTL(valueString)).NE.'0.28')) THEN
STOP 'version number of inp.xml file is not compatible with this fleur version'
END IF
......
......@@ -163,7 +163,7 @@ SUBROUTINE w_inpXML(&
REWIND (fileNum)
WRITE (fileNum,'(a)') '<?xml version="1.0" encoding="UTF-8" standalone="no"?>'
WRITE (fileNum,'(a)') '<fleurInput fleurInputVersion="0.27">'
WRITE (fileNum,'(a)') '<fleurInput fleurInputVersion="0.28">'
END IF
IF(PRESENT(name_opt)) THEN
......
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