LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-10-19 22:41:48 +02:00
Code Issues Releases Wiki Activity

working on remove_duplicates

Browse Source
This commit is contained in:
Anthony Scemama 2018-11-21 14:33:43 +01:00
parent cb4d11e379
commit 638af5195d
2 changed files with 1 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
src/Determinants/H_apply.irp.f
View File

@ -226,7 +226,7 @@ subroutine remove_duplicates_in_psi_det(found_duplicates)
enddo
!$OMP END DO
!$OMP DO
!$OMP DO schedule(dynamic,256)
do i=1,N_det-1
if (duplicate(i)) then
cycle
@ -250,10 +250,8 @@ subroutine remove_duplicates_in_psi_det(found_duplicates)
endif
enddo
if (dup) then
!$OMP CRITICAL
duplicate(j) = .True.
found_duplicates = .True.
!$OMP END CRITICAL
endif
j += 1
if (j > N_det) then

1
src/Ezfio_files/ezfio.irp.f
View File

@ -37,7 +37,6 @@ BEGIN_PROVIDER [ character*(128), ezfio_filename ]
character*(64) :: command, pidc
write(pidc,*) getpid()
write(command,*) 'echo 15 > /proc//'//trim(adjustl(pidc))//'/oom_adj'
print '(A)', command
call system(command)