Changeset fafe4d6

Timestamp:

09/05/08 11:49:43 (16 years ago)

Author:

baerbaer <baerbaer@…>

Branches:

master

Children:

229cc35

Parents:

bd2278d

Message:

Call enyflx() in energy() if ientyp is 1.

The function energy() called enyshe even if flex potential had been chosen by
setting ientyp=1. Now setting ientyp=1 causes energy() to call enyflx() as it
should.

Thanks to Christoph Honisch for reporting this bug.

git-svn-id: ​svn+ssh://svn.berlios.de/svnroot/repos/smmp/trunk@13 26dc1dd8-5c4e-0410-9ffe-d298b4865968

File:

• energy.f (modified) (1 diff)

energy.f

@@ -45 +45 @@
           esm=esm+enyshe(i)
         else if (ientyp.eq.1) then 
-          esm=esm+enyshe(i)
+          esm=esm+enyflx(i)
         else if (ientyp.eq.2) then
            esm=enylun(i)