Commit d4491093 authored by Matthias Redies's avatar Matthias Redies

merge develop

parents 9708683b f1323dfc
set(fleur_F77 ${fleur_F77}
math/angle.f
math/cfft.F
math/clebsch.f
math/cylbes.f
math/cylpts.f
......@@ -21,6 +20,7 @@ math/util.F
math/difcub.f
)
set(fleur_F90 ${fleur_F90}
math/cfft.F90
math/rfft.f90
math/qranf.f90
math/differentiate.f90
......
This diff is collapsed.
......@@ -27,7 +27,7 @@ MODULE m_types_mixvector
INTEGER :: mt_start(3)=0,mt_stop(3) !First and last index for spin
INTEGER :: vac_length,vac_length_g
INTEGER :: vac_start(3)=0,vac_stop(3) !First and last index for spin
INTEGER :: misc_length=0
INTEGER :: misc_length=0,misc_length_g
INTEGER :: misc_start(3)=0,misc_stop(3) !First and last index for spin
INTEGER :: mix_mpi_comm !Communicator for all PEs doing mixing
LOGICAL :: spin_here(3)=.TRUE.
......@@ -392,7 +392,7 @@ CONTAINS
END DO
END IF
IF (misc_here) THEN
ALLOCATE(g_misc(misc_length))
ALLOCATE(g_misc(misc_length_g))
g_misc=1.0
END IF
......@@ -480,7 +480,7 @@ CONTAINS
CALL init_storage_mpi(mpi_comm)
pw_length=0;mt_length=0;vac_length=0;misc_length=0
mt_length_g=0;vac_length_g=0
mt_length_g=0;vac_length_g=0;misc_length_g=0
DO js=1,MERGE(jspins,3,.NOT.l_noco)
IF (spin_here(js)) THEN
!Now calculate the length of the vectors
......@@ -525,9 +525,11 @@ CONTAINS
vac_stop(js)=vac_length
ENDIF
IF (misc_here.AND.(js<3)) THEN
len = 7*7*2*atoms%n_u
misc_start(js)=misc_length+1
misc_length=misc_length+7*7*2*atoms%n_u
misc_length = misc_length + len
misc_stop(js)=misc_length
misc_length_g = MAX(len,misc_length_g)
END IF
END IF
END DO
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment