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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-02 18:08:23 +01:00

Fixed bug in det-csf provider

This commit is contained in:
Anthony Scemama 2021-12-03 15:30:31 +01:00
parent bd6ccc6b92
commit fc7c8313e3

View File

@ -4,7 +4,10 @@ BEGIN_PROVIDER [ double precision, psi_csf_coef, (N_csf, N_states) ]
! Wafe function in CSF basis
END_DOC
call convertWFfromDETtoCSF(N_states,psi_coef, psi_csf_coef)
double precision, allocatable :: buffer(:,:)
allocate ( buffer(N_det, N_states) )
buffer(1:N_det, 1:N_states) = psi_coef(1:N_det, 1:N_states)
call convertWFfromDETtoCSF(N_states, buffer, psi_csf_coef)
END_PROVIDER
subroutine convertWFfromDETtoCSF(N_st,psi_coef_det_in, psi_coef_cfg_out)