comp-chem/NWChem
1
0
Fork 0
mirror of https://github.com/nwchemgit/nwchem.git synced 2026-07-29 06:35:39 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 1

commented debug code

Browse source
This commit is contained in:
Robert Harrison 1997-07-30 02:06:24 +00:00
parent 29228ea19f
commit e07017c829
2 changed files with 9 additions and 6 deletions
Download patch file Download diff file Expand all files Collapse all files

11
src/moints/moints_aux2.F
View file

@ -218,7 +218,7 @@ c
$ ibflo, ibfhi, jbflo, jbfhi,
$ kblo, kbhi, lblo, lbhi,
$ ssbb, osym )
C $Id: moints_aux2.F,v 1.29 1997-06-12 22:53:21 rg240 Exp $
C $Id: moints_aux2.F,v 1.30 1997-07-30 02:06:15 d3g681 Exp $
implicit none
#include "bas.fh"
#include "schwarz.fh"
@ -519,6 +519,9 @@ c
kk = rbfmap(klab(ieri))
ll = rbfmap(llab(ieri))
ssbb(ll,kk,jj,ii) = eri(ieri)
* write(6,7) ilab(ieri),jlab(ieri),klab(ieri),llab(ieri),
* $ eri(ieri)
* 7 format(4i5,f12.6)
enddo
if (more) goto 100
endif
@ -556,7 +559,7 @@ c
$ ibflo, ibfhi, jbflo, jbfhi,
$ kblo, kbhi, lblo, lbhi,
$ ssbb )
C $Id: moints_aux2.F,v 1.29 1997-06-12 22:53:21 rg240 Exp $
C $Id: moints_aux2.F,v 1.30 1997-07-30 02:06:15 d3g681 Exp $
implicit none
#include "bas.fh"
#include "schwarz.fh"
@ -1126,7 +1129,7 @@ c
logical function ga_check_JKblocked(g_a,n1,n2,jlo,jhi)
C$Id: moints_aux2.F,v 1.29 1997-06-12 22:53:21 rg240 Exp $
C$Id: moints_aux2.F,v 1.30 1997-07-30 02:06:15 d3g681 Exp $
implicit none
#include "global.fh"
#include "mafdecls.fh"
@ -1170,7 +1173,7 @@ C$Id: moints_aux2.F,v 1.29 1997-06-12 22:53:21 rg240 Exp $
c$$$ integer function ga_create_Jblocked(noper,nbf,label)
c$$$C$Id: moints_aux2.F,v 1.29 1997-06-12 22:53:21 rg240 Exp $
c$$$C$Id: moints_aux2.F,v 1.30 1997-07-30 02:06:15 d3g681 Exp $
c$$$ implicit none
c$$$#include "global.fh"
c$$$#include "mafdecls.fh"

4
src/moints/moints_full.F
View file

@ -1,5 +1,5 @@
logical function moints_full(rtdb)
C $Id: moints_full.F,v 1.22 1997-06-29 03:04:58 d3g681 Exp $
C $Id: moints_full.F,v 1.23 1997-07-30 02:06:24 d3g681 Exp $
implicit none
#include "mafdecls.fh"
#include "global.fh"
@ -271,7 +271,7 @@ c
c Symmetrize the MOs and reblock as requested
c
if (osym .or. osymblock) then
call ga_summarize(0)
* call ga_summarize(0)
call sym_movecs_adapt(basis,tol_sym,g_vecs,int_mb(k_irs),
$ nmixed)
if (nmixed .ne. 0) then