Commit fab886cd authored by Gregor Michalicek's avatar Gregor Michalicek

Test commit for new gitlab server (only slight comment changes)

parent 95e1944a
...@@ -158,15 +158,14 @@ SUBROUTINE mix(stars,atoms,sphhar,vacuum,input,sym,cell,noco,oneD,& ...@@ -158,15 +158,14 @@ SUBROUTINE mix(stars,atoms,sphhar,vacuum,input,sym,cell,noco,oneD,&
WRITE(6,'(''WARNING : for QUASI-NEWTON METHODS SPINF=1'')') WRITE(6,'(''WARNING : for QUASI-NEWTON METHODS SPINF=1'')')
END IF END IF
!put input charge density into arrays sm !put input charge density into array sm
!in the spin polarized case the arrays consist of !(in the spin polarized case the arrays sm and fsm consist of spin up and spin down densities)
!spin up and spin down densities
CALL brysh1(input,stars,atoms,sphhar,noco,vacuum,sym,oneD,& CALL brysh1(input,stars,atoms,sphhar,noco,vacuum,sym,oneD,&
intfac,vacfac,inDen%pw,inDen%mt,inDen%vacz,inDen%vacxy,inDen%cdom,& intfac,vacfac,inDen%pw,inDen%mt,inDen%vacz,inDen%vacxy,inDen%cdom,&
inDen%cdomvz,inDen%cdomvxy,inDen%mmpMat(-lmaxU_const,-lmaxU_const,1,1),& inDen%cdomvz,inDen%cdomvxy,inDen%mmpMat(-lmaxU_const,-lmaxU_const,1,1),&
nmap,nmaph,mapmt,mapvac,mapvac2,sm) nmap,nmaph,mapmt,mapvac,mapvac2,sm)
!put output charge density into arrays fsm !put output charge density into array fsm
CALL brysh1(input,stars,atoms,sphhar,noco,vacuum,sym,oneD,& CALL brysh1(input,stars,atoms,sphhar,noco,vacuum,sym,oneD,&
intfac,vacfac,outDen%pw,outDen%mt,outDen%vacz,outDen%vacxy,outDen%cdom,& intfac,vacfac,outDen%pw,outDen%mt,outDen%vacz,outDen%vacxy,outDen%cdom,&
outDen%cdomvz,outDen%cdomvxy,outDen%mmpMat(-lmaxU_const,-lmaxU_const,1,1),& outDen%cdomvz,outDen%cdomvxy,outDen%mmpMat(-lmaxU_const,-lmaxU_const,1,1),&
......
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