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Fixed truncate

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This commit is contained in:
Anthony Scemama 2017-07-14 14:15:34 +00:00
parent ca1cdbe79a
commit c46f4c5014
1 changed files with 7 additions and 6 deletions
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13
plugins/QMC/truncate_wf_spin.irp.f
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@ -1,4 +1,10 @@
program e_curve program truncate
read_wf = .True.
SOFT_TOUCH read_wf
call run
end
subroutine run
use bitmasks use bitmasks
implicit none implicit none
integer :: i,j,k, kk, nab, m, l integer :: i,j,k, kk, nab, m, l
@ -6,9 +12,6 @@ program e_curve
integer, allocatable :: iorder(:) integer, allocatable :: iorder(:)
double precision , allocatable :: norm_sort(:) double precision , allocatable :: norm_sort(:)
double precision :: e_0(N_states) double precision :: e_0(N_states)
if (.not.read_wf) then
stop 'Please set read_wf to true'
endif
PROVIDE mo_bielec_integrals_in_map H_apply_buffer_allocated PROVIDE mo_bielec_integrals_in_map H_apply_buffer_allocated
@ -21,8 +24,6 @@ program e_curve
allocate(u_t(N_states,N_det),v_t(N_states,N_det),s_t(N_states,N_det)) allocate(u_t(N_states,N_det),v_t(N_states,N_det),s_t(N_states,N_det))
allocate(u_0(N_det,N_states),v_0(N_det,N_states)) allocate(u_0(N_det,N_states),v_0(N_det,N_states))
read(*,*) ci_threshold
norm_sort(0) = 0.d0 norm_sort(0) = 0.d0
iorder(0) = 0 iorder(0) = 0
do i=1,n_det_alpha_unique do i=1,n_det_alpha_unique