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2097 (19 years ago) by tim: adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ; |
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2090 (19 years ago) by gezelter: OOPSE_itoa! |
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2113 (19 years ago) by gezelter: fixed a doxygen problem |
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2116 (19 years ago) by tim: clean up SimInfo; modify the images of SelectionExpression.html |
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2115 (19 years ago) by chrisfen: fixed a bug in MPI restraints |
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1951 (19 years ago) by gezelter: moved Package variable into subdirectory makefiles to speed up the building process |
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2114 (19 years ago) by tim: adding exclude pairs for rigidbody and cutoff group |
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2069 (19 years ago) by tim: fix compilation problem for g++ 3.4 |
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2082 (19 years ago) by tim: Fixing a bug in BitSet.cpp |
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2115 (19 years ago) by chrisfen: fixed a bug in MPI restraints |
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2101 (19 years ago) by chrisfen: First commit of the new restraints code |
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1951 (19 years ago) by gezelter: moved Package variable into subdirectory makefiles to speed up the building process |
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2119 (19 years ago) by tim: pairs inside cutoff group should not be excluded |
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2099 (19 years ago) by tim: fix compilation issue |
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2118 (19 years ago) by gezelter: settled on a unit for quadrupoles |
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2080 (19 years ago) by gezelter: Cleaning up config.h.in by adding comments |
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1951 (19 years ago) by gezelter: moved Package variable into subdirectory makefiles to speed up the building process |