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Improved truncate_wf

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Anthony Scemama 2022-06-18 15:54:59 +02:00
parent a0949cba45
commit f1a9a22399
1 changed files with 14 additions and 2 deletions
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16
src/tools/truncate_wf.irp.f
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@ -54,11 +54,23 @@ subroutine routine_s2
double precision, allocatable :: psi_coef_tmp(:,:) double precision, allocatable :: psi_coef_tmp(:,:)
integer :: i,j,k integer :: i,j,k
double precision :: accu(N_states) double precision :: accu(N_states)
integer :: weights(0:16), ix
double precision :: x
print *, 'Weights of the CFG' weights(:) = 0
do i=1,N_det do i=1,N_det
print *, i, real(weight_configuration(det_to_configuration(i),:)), real(sum(weight_configuration(det_to_configuration(i),:))) x = -dlog(1.d-32+sum(weight_configuration(det_to_configuration(i),:)))/dlog(10.d0)
ix = min(int(x), 16)
weights(ix) += 1
enddo enddo
print *, 'Histogram of the weights of the CFG'
do i=0,15
print *, ' 10^{-', i, '} ', weights(i)
end do
print *, '< 10^{-', 15, '} ', weights(16)
print*, 'Min weight of the configuration?' print*, 'Min weight of the configuration?'
read(5,*) wmin read(5,*) wmin