 ../
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parse_tree.h
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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parse_tree.c
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2187
(20 years ago)
by tim:
more memory leak are fixed
|
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parse_me.h
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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parse_interface.h
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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node_list.h
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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mpiBASS.h
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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mpiBASS.c
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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make_nodes.h
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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make_nodes.c
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2187
(20 years ago)
by tim:
more memory leak are fixed
|
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interface.c
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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basic_teebuf.hpp
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2060
(20 years ago)
by tim:
adding basic_teebuf which can operate on multiple stream simutaneously.
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basic_ifstrstream.hpp
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2165
(20 years ago)
by tim:
avoid multiple inherit in basic_ifstrstream
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ZConsWriter.hpp
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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ZConsWriter.cpp
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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ZConsReader.hpp
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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ZConsReader.cpp
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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TorsionTypesSectionParser.hpp
|
1957
(20 years ago)
by tim:
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
|
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TorsionTypesSectionParser.cpp
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1957
(20 years ago)
by tim:
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
|
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StickyAtomTypesSectionParser.hpp
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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StickyAtomTypesSectionParser.cpp
|
1957
(20 years ago)
by tim:
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
|
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StatWriter.hpp
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
StatWriter.cpp
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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SectionParserManager.hpp
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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SectionParserManager.cpp
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2097
(20 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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SectionParser.hpp
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1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
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SectionParser.cpp
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2098
(20 years ago)
by tim:
fix a bug in SectionParser (lineNo is not updated)
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RestWriter.hpp
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2101
(20 years ago)
by chrisfen:
First commit of the new restraints code
|
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RestWriter.cpp
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2107
(20 years ago)
by chrisfen:
Oops... MPI now builds...
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RestReader.hpp
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2101
(20 years ago)
by chrisfen:
First commit of the new restraints code
|
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RestReader.cpp
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2115
(20 years ago)
by chrisfen:
fixed a bug in MPI restraints
|
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MultipoleAtomTypesSectionParser.hpp
|
2097
(20 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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MultipoleAtomTypesSectionParser.cpp
|
2120
(20 years ago)
by tim:
fix a typo in MultipoleAtomTypesSectionParser
|
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Makefile
|
2110
(20 years ago)
by gezelter:
LinkedList removal project starts now
|
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LinkedAssign.hpp
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
LinkedAssign.cpp
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
LennardJonesAtomTypesSectionParser.hpp
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
LennardJonesAtomTypesSectionParser.cpp
|
2062
(20 years ago)
by tim:
adding soft potential to LJ Module
|
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Globals.hpp
|
2110
(20 years ago)
by gezelter:
LinkedList removal project starts now
|
|
Globals.cpp
|
2109
(20 years ago)
by tim:
using map to replace link list
|
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EAMAtomTypesSectionParser.hpp
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
EAMAtomTypesSectionParser.cpp
|
2109
(20 years ago)
by tim:
using map to replace link list
|
|
DumpWriter.hpp
|
2060
(20 years ago)
by tim:
adding basic_teebuf which can operate on multiple stream simutaneously.
|
|
DumpWriter.cpp
|
2079
(20 years ago)
by tim:
avoid using const char*(hope can fixed the missing atom type problem)
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|
DumpReader.hpp
|
2002
(20 years ago)
by tim:
adding dynamicProps
|
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DumpReader.cpp
|
2101
(20 years ago)
by chrisfen:
First commit of the new restraints code
|
|
DirectionalAtomTypesSectionParser.hpp
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
DirectionalAtomTypesSectionParser.cpp
|
1957
(20 years ago)
by tim:
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
|
|
ChargeAtomTypesSectionParser.hpp
|
2097
(20 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;
|
|
ChargeAtomTypesSectionParser.cpp
|
2097
(20 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;
|
|
BondTypesSectionParser.hpp
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
BondTypesSectionParser.cpp
|
1957
(20 years ago)
by tim:
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
|
|
BendTypesSectionParser.hpp
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
BendTypesSectionParser.cpp
|
1957
(20 years ago)
by tim:
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
|
|
BASSyacc.y
|
1495
(21 years ago)
by tim:
add yacc and lex rules
|
|
BASSlex.l
|
2150
(20 years ago)
by tim:
reinitialize buffer_stack_ptr in BASS parser
|
|
BASS_parse.h
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
BASS_parse.c
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
BASS_interface.h
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
BASS_interface.cpp
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
AtomTypesSectionParser.hpp
|
1930
(20 years ago)
by gezelter:
merging new_design branch into OOPSE-2.0
|
|
AtomTypesSectionParser.cpp
|
1957
(20 years ago)
by tim:
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
|
