Changeset 08edfcf for INCL.H

Timestamp:

11/19/09 11:29:29 (14 years ago)

Author:

baerbaer <baerbaer@…>

Branches:

master

Children:

c021909

Parents:

2019dff

Message:

Charges need to be floating point numbers.

While explicitely typing the variables, cgat had become an integer. It has to
be a double precision number, though. This commit fixes this.

git-svn-id: ​svn+ssh://svn.berlios.de/svnroot/repos/smmp/trunk@28 26dc1dd8-5c4e-0410-9ffe-d298b4865968

File:

• INCL.H (modified) (3 diffs)

INCL.H

@@ -1 @@
-      implicit none
-!      implicit integer*4 (i-n)
-!      implicit real*8 (a-h,o-z)
+!      implicit none
+      implicit integer*4 (i-n)
+      implicit real*8 (a-h,o-z)
       character*255 version
 
@@ -8 +8 @@
       integer mxhbac, mxtybl, mxtyba, mxtyto, mxrt, mxvrrt, mxrtsu
       integer nrsty
-      integer MAXLOGLEVEL, LOGFILEUNIT
+!      integer MAXLOGLEVEL, LOGFILEUNIT
       double precision pi, pi2, pi4, crd, cdr, zero, one
       integer izero, ione
@@ -223 +223 @@
 !  zat    - |
 !  nmat   - atom name
-      integer ityat, iowat, iyowat, nbdat, ibdat, iybdat, ixmsat, cgat
+      integer ityat, iowat, iyowat, nbdat, ibdat, iybdat, ixmsat
       double precision xbaat, ybaat, zbaat, baat, snbaat, csbaat, xtoat
       double precision ytoat, ztoat, toat, sntoat, cstoat, blat, xat
-      double precision yat, zat
+      double precision yat, zat, cgat
       common /atm_i/ ityat(mxat),iowat(mxat),iyowat(mxat),nbdat(mxat),  &
      &               ibdat(mxbd,mxat),iybdat(mxbd,mxat),ixmsat(mxat)