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

Fixed t_DMC

This commit is contained in:
Anthony Scemama 2021-05-24 16:05:38 +02:00
parent 8ac9bcb963
commit 216ddc4351

View File

@ -252,7 +252,7 @@ BEGIN_PROVIDER [ double precision, E_loc ]
enddo
! Avoid divergence of E_loc and population explosion
if (do_pseudo .and. qmc_method == 'DMC' ) then
if (do_pseudo .and. (qmc_method == t_DMC) ) then
double precision :: delta_e
delta_e = E_loc-E_ref
E_loc = E_ref + delta_e * dexp(-dabs(delta_e)*time_step_sq)