From e671874b5aedbc363fdf2b0dc364f52fc94bd6cf Mon Sep 17 00:00:00 2001 From: Antoine Marie Date: Wed, 3 Jul 2024 16:48:39 +0200 Subject: [PATCH] comment old print in pprpa --- src/RPA/ppRRPA.f90 | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/RPA/ppRRPA.f90 b/src/RPA/ppRRPA.f90 index 65ddf24..2fe9658 100644 --- a/src/RPA/ppRRPA.f90 +++ b/src/RPA/ppRRPA.f90 @@ -78,8 +78,8 @@ subroutine ppRRPA(dotest,TDA,doACFDT,singlet,triplet,nBas,nC,nO,nV,nR,ENuc,ERHF, call ppLR_transition_vectors(.true.,nBas,nC,nO,nV,nR,nOO,nVV,dipole_int,Om1,X1,Y1,Om2,X2,Y2) - call print_excitation_energies('ppRPA@RHF','2p (singlet)',nVV,Om1) - call print_excitation_energies('ppRPA@RHF','2h (singlet)',nOO,Om2) +! call print_excitation_energies('ppRPA@RHF','2p (singlet)',nVV,Om1) +! call print_excitation_energies('ppRPA@RHF','2h (singlet)',nOO,Om2) deallocate(Om1,X1,Y1,Om2,X2,Y2,Bpp,Cpp,Dpp) @@ -110,8 +110,8 @@ subroutine ppRRPA(dotest,TDA,doACFDT,singlet,triplet,nBas,nC,nO,nV,nR,ENuc,ERHF, call ppLR_transition_vectors(.false.,nBas,nC,nO,nV,nR,nOO,nVV,dipole_int,Om1,X1,Y1,Om2,X2,Y2) - call print_excitation_energies('ppRPA@RHF','2p (triplet)',nVV,Om1) - call print_excitation_energies('ppRPA@RHF','2h (triplet)',nOO,Om2) +! call print_excitation_energies('ppRPA@RHF','2p (triplet)',nVV,Om1) +! call print_excitation_energies('ppRPA@RHF','2h (triplet)',nOO,Om2) deallocate(Om1,X1,Y1,Om2,X2,Y2,Bpp,Cpp,Dpp)