From 4e7cb25352f154224ef1040de35b5a424420dc99 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Thu, 20 Jul 2023 21:54:09 +0200 Subject: [PATCH] move exchange --- src/GW/exchange_matrix_MO_basis.f90 | 26 -------------------------- 1 file changed, 26 deletions(-) delete mode 100644 src/GW/exchange_matrix_MO_basis.f90 diff --git a/src/GW/exchange_matrix_MO_basis.f90 b/src/GW/exchange_matrix_MO_basis.f90 deleted file mode 100644 index 5cb13b1..0000000 --- a/src/GW/exchange_matrix_MO_basis.f90 +++ /dev/null @@ -1,26 +0,0 @@ -subroutine exchange_matrix_MO_basis(nBas,c,P,G,K) - -! Compute exchange matrix in the MO basis - - implicit none - include 'parameters.h' - -! Input variables - - integer,intent(in) :: nBas - double precision,intent(in) :: c(nBas,nBas),P(nBas,nBas) - double precision,intent(in) :: G(nBas,nBas,nBas,nBas) - -! Output variables - - double precision,intent(out) :: K(nBas,nBas) - -! Compute Hartree Hamiltonian in the AO basis - - call exchange_matrix_AO_basis(nBas,P,G,K) - -! Transform Coulomb matrix in the MO basis - - K = matmul(transpose(c),matmul(K,c)) - -end subroutine exchange_matrix_MO_basis