Changeset 3b470f for molecuilder/src/atom.cpp

Timestamp:

Jul 23, 2009, 11:23:59 AM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

59a745

Parents:

09f4dc (diff), 14178b (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'Thermostat'

Conflicts:

.gitignore
Makefile.am
molecuilder/src/analyzer.cpp
molecuilder/src/builder.cpp
molecuilder/src/config.cpp
molecuilder/src/moleculelist.cpp
molecuilder/src/molecules.cpp
molecuilder/src/molecules.hpp

• config::SaveMPQC() has different call parameters
• analyzer and joiner had conflicts due to Chi and ChiPAS values
• molecule::VerletForceIntegration() is slightly different too, but Thermostat supposedly is old version

File:

• molecuilder/src/atom.cpp (modified) (1 diff)

molecuilder/src/atom.cpp

@@ -85 +85 @@
 };
 
-ostream & operator << (ostream &ost, atom &a) 
+ostream & operator << (ostream &ost, const atom &a) 
 {
   ost << "[" << a.Name << "|" << &a << "]";