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root/OpenMD/trunk/src/brains/ForceField.cpp

Comparing:
trunk/src/UseTheForce/ForceField.cpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/UseTheForce/ForceField.cpp (file contents), Revision 1530 by gezelter, Tue Dec 28 21:47:55 2010 UTC

#	Line 52 | Line 52
52		#include "utils/simError.h"
53		#include "utils/Tuple.hpp"
54		#include "UseTheForce/DarkSide/atype_interface.h"
55	–	#include "UseTheForce/DarkSide/fForceOptions_interface.h"
56	–	#include "UseTheForce/DarkSide/switcheroo_interface.h"
55		namespace OpenMD {
56
57		ForceField::ForceField() {
58	+
59		char* tempPath;
60		tempPath = getenv("FORCE_PARAM_PATH");
61	<
61	>
62		if (tempPath == NULL) {
63		//convert a macro from compiler to a string in c++
64		STR_DEFINE(ffPath_, FRC_PATH );
#	Line 71 | Line 70 | namespace OpenMD {
70
71		ForceField::~ForceField() {
72		deleteAtypes();
74	–	deleteSwitch();
73		}
74
75		AtomType* ForceField::getAtomType(const std::string &at) {
#	Line 630 | Line 628 | namespace OpenMD {
628		return ffStream;
629		}
630
633	–	void ForceField::setFortranForceOptions(){
634	–	ForceOptions theseFortranOptions;
635	–	forceFieldOptions_.makeFortranOptions(theseFortranOptions);
636	–	setfForceOptions(&theseFortranOptions);
637	–	}
631		} //end namespace OpenMD

Comparing:
trunk/src/UseTheForce/ForceField.cpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/UseTheForce/ForceField.cpp (property svn:keywords), Revision 1530 by gezelter, Tue Dec 28 21:47:55 2010 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

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