File: genzvclmt.f90

package info (click to toggle)
elkcode 5.4.24-2
  • links: PTS, VCS
  • area: main
  • in suites: buster, sid
  • size: 12,840 kB
  • sloc: f90: 48,415; fortran: 22,457; perl: 965; makefile: 384; sh: 369; python: 105; ansic: 67
file content (33 lines) | stat: -rw-r--r-- 864 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33

! Copyright (C) 2010 J. K. Dewhurst, S. Sharma and E. K. U. Gross.
! This file is distributed under the terms of the GNU General Public License.
! See the file COPYING for license details.

subroutine genzvclmt(nr,nri,ld1,r,ld2,zrhomt,zvclmt)
use modmain
use modomp
implicit none
! arguments
integer, intent(in) :: nr(nspecies),nri(nspecies)
integer, intent(in) :: ld1
real(8), intent(in) :: r(ld1,nspecies)
integer, intent(in) :: ld2
complex(8), intent(in) :: zrhomt(ld2,natmtot)
complex(8), intent(out) :: zvclmt(ld2,natmtot)
! local variables
integer is,ias,nthd
call omp_hold(natmtot,nthd)
!$OMP PARALLEL DEFAULT(SHARED) &
!$OMP PRIVATE(is) &
!$OMP NUM_THREADS(nthd)
!$OMP DO
do ias=1,natmtot
  is=idxis(ias)
  call zpotclmt(nr(is),nri(is),r(:,is),zrhomt(:,ias),zvclmt(:,ias))
end do
!$OMP END DO
!$OMP END PARALLEL
call omp_free(nthd)
return
end subroutine