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mirror of https://gitlab.com/scemama/qmcchem.git synced 2024-06-13 16:55:17 +02:00

keep svd coefs

This commit is contained in:
Anthony Scemama 2021-06-29 15:55:53 +02:00
parent 0898c98575
commit 205a89e391

View File

@ -18,14 +18,11 @@ BEGIN_PROVIDER [ integer, n_svd_coefs ]
! If true, use SVD wave function
END_DOC
integer :: i
double precision :: keep
keep = 1.d0
n_svd_coefs = 0
do i=1,n_svd_coefs_full
keep = keep - psi_svd_coefs(i)*psi_svd_coefs(i)
if (dsqrt(keep) < ci_threshold) then
if (psi_svd_coefs(i) < ci_threshold) then
exit
endif
print *, i, psi_svd_coefs(i)
n_svd_coefs = n_svd_coefs+1
enddo
END_PROVIDER