[ViewVC] Diff of: group/branches/no-template-branch/OOPSE/libmdtools/SimInfo.hpp

Comparing trunk/OOPSE/libmdtools/SimInfo.hpp (file contents):
Revision 457 by gezelter, Fri Apr 4 19:16:11 2003 UTC vs.
Revision 458 by gezelter, Fri Apr 4 19:47:19 2003 UTC

#	Line 30 \| Line 30 \| class SimInfo{ (public)
30		unsigned int n_bends; // number of bends
31		unsigned int n_torsions; // number of torsions
32		unsigned int n_oriented; // number of of atoms with orientation
33	+	unsigned int ndf; // number of actual degrees of freedom
34	+	unsigned int ndfRaw; // number of settable degrees of freedom
35
36		unsigned int setTemp; // boolean to set the temperature at each sampleTime
37
#	Line 102 \| Line 104 \| class SimInfo{ (public)
104		setFortranBoxSize = fBox;
105		}
106
107	+	int getNDF();
108	+	int getNDFraw();
109	+
110		void setBox( double newBox[3] );
111		void getBox( double theBox[3] );
112

-–
+Removed lines
-+
+Added lines
-<
+Changed lines
->
+Changed lines