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Added psi_csf_coef

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Anthony Scemama 2021-12-03 14:49:17 +01:00
parent 82d1ca035e
commit bd6ccc6b92
1 changed files with 9 additions and 0 deletions
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src/csf/conversion.irp.f
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@ -1,3 +1,12 @@
BEGIN_PROVIDER [ double precision, psi_csf_coef, (N_csf, N_states) ]
implicit none
BEGIN_DOC
! Wafe function in CSF basis
END_DOC
call convertWFfromDETtoCSF(N_states,psi_coef, psi_csf_coef)
END_PROVIDER
subroutine convertWFfromDETtoCSF(N_st,psi_coef_det_in, psi_coef_cfg_out) subroutine convertWFfromDETtoCSF(N_st,psi_coef_det_in, psi_coef_cfg_out)
use cfunctions use cfunctions
use bitmasks use bitmasks