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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 1532 by gezelter, Wed Dec 29 19:59:21 2010 UTC

#	Line 51 | Line 51
51		#include "UseTheForce/ForceField.hpp"
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"
54		namespace OpenMD {
55
56		ForceField::ForceField() {
57	+
58		char* tempPath;
59		tempPath = getenv("FORCE_PARAM_PATH");
60	<
60	>
61		if (tempPath == NULL) {
62		//convert a macro from compiler to a string in c++
63		STR_DEFINE(ffPath_, FRC_PATH );
#	Line 68 | Line 66 | namespace OpenMD {
66		}
67		}
68
71	–
72	–	ForceField::~ForceField() {
73	–	deleteAtypes();
74	–	deleteSwitch();
75	–	}
76	–
69		AtomType* ForceField::getAtomType(const std::string &at) {
70		std::vector<std::string> keys;
71		keys.push_back(at);
#	Line 630 | Line 622 | namespace OpenMD {
622		return ffStream;
623		}
624
633	–	void ForceField::setFortranForceOptions(){
634	–	ForceOptions theseFortranOptions;
635	–	forceFieldOptions_.makeFortranOptions(theseFortranOptions);
636	–	setfForceOptions(&theseFortranOptions);
637	–	}
625		} //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 1532 by gezelter, Wed Dec 29 19:59:21 2010 UTC

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

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