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root/OpenMD/trunk/src/utils/ElementsTable.cpp

Comparing trunk/src/utils/ElementsTable.cpp (file contents):
Revision 1296 by chuckv, Thu Sep 18 21:51:20 2008 UTC vs.
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC

#	Line 1 | Line 1 | This basic Periodic Table class was originally taken f
1		/**********************************************************************
2
3		This basic Periodic Table class was originally taken from the data.cpp
4	<	file in OpenBabel. The code has been modified to match the OOPSE coding style.
4	>	file in OpenBabel. The code has been modified to match the OpenMD coding style.
5
6		We have retained the OpenBabel copyright and GPL license on this class:
7
#	Line 53 | Line 53 | extern "C" int strncasecmp(const char *s1, const char
53		#define BUFF_SIZE 32768
54		#endif
55
56	<	namespace oopse {
56	>	namespace OpenMD {
57
58		ElementsTable etab;
59
60		ElementsTable::ElementsTable() {
61		init_ = false;
62	<	STR_DEFINE(dir_, FRC_PATH );
62	>	dir_ = std::string("TO_STRING(FRC_PATH)");
63		envvar_ = "FORCE_PARAM_PATH";
64		filename_ = "element.txt";
65		}
#	Line 109 | Line 109 | namespace oopse {
109		return elements_.size();
110		}
111
112	<	char *ElementsTable::GetSymbol(int atomicnum) {
112	>	const char *ElementsTable::GetSymbol(int atomicnum) {
113		if (!init_)
114		Init();
115

Comparing trunk/src/utils/ElementsTable.cpp (property svn:keywords):
Revision 1296 by chuckv, Thu Sep 18 21:51:20 2008 UTC vs.
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC

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

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