Commit a21f18e4 authored by Daniel Wortmann's avatar Daniel Wortmann

Merge branch 'develop' of fleur-git:fleur into develop

parents bfc028cf 83116e8b
......@@ -68,6 +68,15 @@ CONTAINS
ALLOCATE (fm1(mmap),sm1(mmap),ui(mmap),um(mmap),vi(mmap),vm(mmap))
ALLOCATE ( am(input%maxiter+1) )
fm1 = 0.0
sm1 = 0.0
ui = 0.0
um = 0.0
vi = 0.0
vm = 0.0
am = 0.0
!
IF (mit.NE.1) THEN
!
......@@ -86,8 +95,8 @@ CONTAINS
! loop to generate F_m - F_(m-1) ... sm1
! and rho_m - rho_(m-1) .. fm1
!
sm1=sm-sm1
fm1=fm-fm1
sm1(1:nmap)=sm(1:nmap)-sm1(1:nmap)
fm1(1:nmap)=fm(1:nmap)-fm1(1:nmap)
END IF
!
! save F_m and rho_m for next iteration
......
......@@ -30,6 +30,7 @@
USE m_types
USE m_cylpts
USE m_points
USE m_juDFT_init
IMPLICIT NONE
! ..
TYPE(t_mpi),INTENT(IN) :: mpi
......@@ -300,7 +301,7 @@
!
! set up parameters for enpara-file
!
IF (.NOT.l_enpara) THEN
IF (juDFT_was_argument("-genEnpara").AND..NOT.l_enpara) THEN
OPEN (40,file='enpara',form='formatted',status='unknown')
enpara%lchange = .TRUE.
enpara%llochg = .TRUE.
......
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