Commit 91469860 authored by Gregor Michalicek's avatar Gregor Michalicek

Added some missing initializations of variables

This commit is the first of probably several similar commits that adds
missing initializations found by valgrind.

Special thanks for this commit go to Aristid Breitkreuz and Christoph Dittmann
who pushed me to trying out valgrind.
parent cf6cd542
......@@ -732,6 +732,8 @@ CONTAINS
! sum over phases
!
stars%rgphs(:,:,:) = cmplx(0.0,0.0)
stars%igfft = 0
stars%pgfft = cmplx(0.0,0.0)
starloop: DO k = 1,stars%ng3
CALL spgrot(&
......
......@@ -921,6 +921,7 @@ SUBROUTINE r_inpXML(&
IF (numberNodes.EQ.1) THEN
symmetryDef = 2
sym%nop = 48
valueString = TRIM(ADJUSTL(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@filename')))
CALL rw_symfile('r',94,TRIM(ADJUSTL(valueString)),48,cell%bmat,&
......@@ -1759,6 +1760,13 @@ SUBROUTINE r_inpXML(&
END IF
vacuum%layers = 1
input%integ = .FALSE.
vacuum%starcoeff = .FALSE.
vacuum%nstars = 0
vacuum%locx = 0.0
vacuum%locy = 0.0
vacuum%nstm = 0
vacuum%tworkf = 0.0
IF ((banddos%vacdos).AND.(numberNodes.EQ.1)) THEN
vacuum%layers = evaluateFirstIntOnly(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@layers'))
input%integ = evaluateFirstBoolOnly(xmlGetAttributeValue(TRIM(ADJUSTL(xPathA))//'/@integ'))
......
......@@ -388,6 +388,8 @@
IF ( mpi%irank == 0 ) WRITE(*,'(A)') '...done'
ELSEIF ( it == 1 ) THEN ! allocate some dummy arrays
#endif
IF (it==1) THEN ! temporary until HF is not excluded by #if any more
IF ( noco%l_soc ) THEN
dimension%neigd2 = dimension%neigd*2
ELSE
......@@ -401,7 +403,6 @@
& hybrid%basm2(0,0,0,0),hybrid%nindxm1(0,0),hybrid%nindxm2(0,0))
END IF ! first iteration hybrids
!HF
#endif
IF (.NOT.obsolete%pot8) THEN
CALL timestart("generation of potential")
......
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