[ViewVC] Diff of: group/trunk/OOPSE-2.0/src/io/LennardJonesAtomTypesSectionParser.cpp

Comparing trunk/OOPSE-2.0/src/io/LennardJonesAtomTypesSectionParser.cpp (file contents):
Revision 2204 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 2498 by chuckv, Wed Dec 7 23:00:26 2005 UTC

#	Line 40 \| Line 40
40		*/
41
42		#include "io/LennardJonesAtomTypesSectionParser.hpp"
43	+	#include "io/ForceFieldOptions.hpp"
44		#include "types/AtomType.hpp"
45		#include "UseTheForce/ForceField.hpp"
46		#include "utils/simError.h"
47		namespace oopse {
48
49	<	LennardJonesAtomTypesSectionParser::LennardJonesAtomTypesSectionParser() {
49	>	LennardJonesAtomTypesSectionParser::LennardJonesAtomTypesSectionParser(ForceFieldOptions& options) : options_(options) {
50		setSectionName("LennardJonesAtomTypes");
51		}
52
#	Line 70 \| Line 71 \| namespace oopse {
71		ljParam.epsilon = tokenizer.nextTokenAsDouble();
72		ljParam.sigma = tokenizer.nextTokenAsDouble();
73		ljParam.soft_pot = 0;
74	<
74	>
75	>	ljParam.epsilon *= options_.getEnergyUnitScaling();
76	>	ljParam.sigma *= options_.getDistanceUnitScaling();
77	>
78		if (tokenizer.hasMoreTokens()) {
79		std::string pot_type = tokenizer.nextToken();
80		if (pot_type == "soft") {

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