From 30bee3f950ae06fc234d7c2aa4786ef11ec703ef Mon Sep 17 00:00:00 2001
From: Robert Harrison <robert.harrison@stonybrook.edu>
Date: Tue, 11 May 1999 23:43:49 +0000
Subject: [PATCH] trying to get hondo to be quiet; put checking of dimension of
 hessian on disk so that at least have the same number of atoms.

---
 src/geom/geom_hnd.F   | 18 +++++++++++-------
 src/geom/geom_input.F | 13 +++++++------
 2 files changed, 18 insertions(+), 13 deletions(-)

diff --git a/src/geom/geom_hnd.F b/src/geom/geom_hnd.F
index b63de26505..0534c750df 100644
--- a/src/geom/geom_hnd.F
+++ b/src/geom/geom_hnd.F
@@ -1,5 +1,6 @@
       SUBROUTINE HND_ICOORD(RTDB,GEOM)
       IMPLICIT DOUBLE PRECISION (A-H,O-Z)
+#include "util.fh"
 c
       logical status
       integer rtdb
@@ -66,21 +67,22 @@ C
             CALL ERRQUIT('GEOM_ZMT_OPN_FIL?',911)
          ENDIF
          CALL HND_BANDBI(GEOM,NAT,C)
-         CALL HND_ZMTPRT(GEOM)
+****         CALL HND_ZMTPRT(GEOM)  ! RJH - no need to print every time
       ELSEIF(IFZMAT.NE.0.AND.NZMAT.EQ.0) THEN
 C
 C     -----       THERE IS NO -Z- MATRIX     -----
 C     ----- TRY TO CREAT ONE ; IF SUCCESSFUL -----
 C     -----    CALCULATE -B- AND -B**(-1)-   -----
 C
-         CALL HND_ZMTMAK(ZDONE,RTDB)
+         CALL HND_ZMTMAK(ZDONE,RTDB,
+     $        util_print('zmat','print_default'))
          IF(ZDONE) THEN
             STATUS=GEOM_ZMT_OPN_FIL(.TRUE.,.TRUE.,.FALSE.,.FALSE.)
             IF(.NOT.STATUS) THEN
                CALL ERRQUIT('GEOM_ZMT_OPN_FIL?',911)
             ENDIF
             CALL HND_BANDBI(GEOM,NAT,C)
-            CALL HND_ZMTPRT(GEOM)
+****  CALL HND_ZMTPRT(GEOM)
          ELSE
 C
 C     -----  DEFINE ROTATIONS+TRANSLATIONS  -----
@@ -2671,15 +2673,17 @@ C
   950 FORMAT(1X,'THIS MESSAGE COMES TO YOU FROM -DIHPLA-, WHERE ',
      1          'INTERNAL COORDINATE',I4,' USES ATOMS',5I4)
       END
-      SUBROUTINE HND_ZMTMAK(ZDONE,RTDB)
+      SUBROUTINE HND_ZMTMAK(ZDONE,RTDB,oprint)
       IMPLICIT DOUBLE PRECISION (A-H,O-Z)
 #include "rtdb.fh"
 #include "global.fh"
 #include "mafdecls.fh"
 #include "geom.fh"
+#include "util.fh"
       integer  rtdb
       logical  status
       logical  zcoord_input
+      logical  oprint
       parameter (max_zcoord=16)
 c
       PARAMETER (TOANGS=0.52917724924D+00)
@@ -2743,7 +2747,7 @@ C      EXCEPT VAN DER WAALS RADII FOR HE,NE,AR,KR (SAME SOURCE),
 C      AND GUESSES FOR NA,V,CR,RB,TC,PM,EU,YB,AT,RN
 C
       DATA (RCOV(NUCZ),NUCZ=1,2)
-     1  /0.30D+00,1.22D+00/
+     1  /0.40D+00,1.22D+00/     ! RJH Changed 0.3 for H to 0.4 for H2
       DATA (RCOV(NUCZ),NUCZ=3,10)
      1  /1.23D+00,0.89D+00,0.88D+00,0.77D+00,
      2   0.70D+00,0.66D+00,0.71D+00,1.60D+00/
@@ -2784,7 +2788,7 @@ C
       OUT  =OUT.OR.DBUG
       SOME =.TRUE.
       SOME =SOME.OR.OUT
-      IF(SOME) THEN
+      IF(SOME .and. oprint) THEN
          WRITE(IW,8888)
       ENDIF
       IF(DBUG) THEN
@@ -3252,7 +3256,7 @@ C
          NZMAT=NIZMAT
          NLNBA=3*MXLNBA
 C
-         IF(SOME) THEN
+         IF(SOME .and. oprint) THEN
             WRITE(IW,8877) ZDONE
          ENDIF
          RETURN
diff --git a/src/geom/geom_input.F b/src/geom/geom_input.F
index f786c4c74f..158d6487a5 100644
--- a/src/geom/geom_input.F
+++ b/src/geom/geom_input.F
@@ -1,5 +1,5 @@
       subroutine geom_input(rtdb)
-C     $Id: geom_input.F,v 1.89 1999-05-09 19:16:21 d3g681 Exp $
+C     $Id: geom_input.F,v 1.90 1999-05-11 23:43:49 d3g681 Exp $
       implicit none
 #include "stdio.fh"
 #include "inp.fh"
@@ -376,7 +376,7 @@ c
 c     ----- call auto-z-matrix generation -----
 c     
          call geom_zmt_autoz(rtdb,geom,coords,charge,tags,ncenter,
-     $        nzinput,oforce_autoz)
+     $        nzinput,oforce_autoz,oprint)
       else
 c     
 c     ----- no auto-z -----
@@ -1766,7 +1766,7 @@ c
       end
       subroutine  geom_zmt_autoz(rtdb,geom,
      1                           coords,charge,tags,ncenter,
-     2                           nzinput,oforce_autoz)
+     2                           nzinput,oforce_autoz, oprint)
       implicit none
 #include "stdio.fh"
       integer      rtdb
@@ -1799,6 +1799,7 @@ c
       logical      zdone
       logical      dbug 
       logical      some 
+      logical     oprint
       double precision coords
       double precision charge
       double precision zmat  
@@ -1851,7 +1852,7 @@ c
          enddo
       endif
 c
-      call hnd_zmtmak(zdone,rtdb)
+      call hnd_zmtmak(zdone,rtdb,oprint)
 c
       if(.not.zdone) then
          write(iw,9997)
@@ -1873,7 +1874,8 @@ c
 c
 c     ----- print -zmat- data -----
 c
-      call geom_prt_autoz(zmat,nzvar,izmat,nizmat,c)
+      if (oprint) 
+     $     call geom_prt_autoz(zmat,nzvar,izmat,nizmat,c)
 c
       return
  9999 format(' in -geom_zmt_autoz- ')
@@ -2024,7 +2026,6 @@ C
       logical      status
       integer      rtdb
       integer      geom
-      integer      mitob
       integer      mxizmt
       integer      mxzmat
       integer      mxatom