From 5db78321d80b594f91b3f7586d4b8a8dce4dbc66 Mon Sep 17 00:00:00 2001 From: Eric Bylaska Date: Fri, 23 Jun 2023 18:39:02 -0700 Subject: [PATCH] checking compilation...EJB --- src/nwpw/pspw/cpsd/inner_loop.F | 2 -- 1 file changed, 2 deletions(-) diff --git a/src/nwpw/pspw/cpsd/inner_loop.F b/src/nwpw/pspw/cpsd/inner_loop.F index 961e9f11f5..e6b46bedd2 100644 --- a/src/nwpw/pspw/cpsd/inner_loop.F +++ b/src/nwpw/pspw/cpsd/inner_loop.F @@ -663,14 +663,12 @@ c call Pack_cc_Sum(1,psi2(1,n),psi1(1,n),psi2(1,n)) if (psp_pawexist()) then call psp_overlap_S(ispin,ne,psi1,psi_r) if (move) call phafac2() - if (control_gram_schmidt()) then if (control_gram_schmidt2()) then call Dneall_f_GramSchmidt(ms,psi2,npack1) else call Dneall_f_Sortho(ms,psi2,psi_r,npack1) end if - else call psi_lmbda_paw(ispin,ne,nemax,npack1,psi_r,psi2, > dte,