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mirror of https://github.com/pfloos/quack synced 2024-11-03 20:53:53 +01:00

remove pCCDso

This commit is contained in:
Pierre-Francois Loos 2023-09-06 11:19:01 +02:00
parent 00049621ff
commit 07208d9b68

View File

@ -159,7 +159,6 @@ subroutine CC(doCCD,dopCCD,doDCD,doCCSD,doCCSDT,do_drCCD,do_rCCD,do_crCCD,do_lCC
call wall_time(start_CC) call wall_time(start_CC)
call pCCD(maxSCF,thresh,max_diis,nBas,nC,nO,nV,nR,ERI,ENuc,EHF,epsHF) call pCCD(maxSCF,thresh,max_diis,nBas,nC,nO,nV,nR,ERI,ENuc,EHF,epsHF)
call pCCDso(maxSCF,thresh,max_diis,nBas,nC,nO,nV,nR,ERI,ENuc,EHF,epsHF)
call wall_time(end_CC) call wall_time(end_CC)
t_CC = end_CC - start_CC t_CC = end_CC - start_CC