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Print nb occ patterns

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Anthony Scemama 2017-02-27 21:44:28 +01:00
parent af7032cf0a
commit cc53cff932
1 changed files with 2 additions and 1 deletions
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3
src/Determinants/occ_pattern.irp.f
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@ -250,7 +250,7 @@ subroutine make_s2_eigenfunction
integer, parameter :: bufsze = 1000 integer, parameter :: bufsze = 1000
logical, external :: is_in_wavefunction logical, external :: is_in_wavefunction
print *, 'Finding determinants for S^2...' call write_int(6,N_occ_pattern,'Number of occupation patterns')
!$OMP PARALLEL DEFAULT(NONE) & !$OMP PARALLEL DEFAULT(NONE) &
!$OMP SHARED(N_occ_pattern, psi_occ_pattern, elec_alpha_num,N_int) & !$OMP SHARED(N_occ_pattern, psi_occ_pattern, elec_alpha_num,N_int) &
@ -297,6 +297,7 @@ subroutine make_s2_eigenfunction
call copy_H_apply_buffer_to_wf call copy_H_apply_buffer_to_wf
SOFT_TOUCH N_det psi_coef psi_det SOFT_TOUCH N_det psi_coef psi_det
print *, 'Added determinants for S^2' print *, 'Added determinants for S^2'
call write_time(6)
end end