 ../
|
SectionParserManager.hpp
|
2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
|
|
basic_teebuf.hpp
|
2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
|
|
basic_ifstrstream.hpp
|
2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
|
|
AtomTypesSectionParser.hpp
|
2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
|
|
SectionParser.cpp
|
2211
(19 years ago)
by chrisfen:
Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...
|
|
gzstream.hpp
|
2314
(18 years ago)
by tim:
adding zlib support for DumpWriter
|
|
gzstream.cpp
|
2314
(18 years ago)
by tim:
adding zlib support for DumpWriter
|
|
StatWriter.hpp
|
2380
(18 years ago)
by tim:
Customized StatWriter is working
|
|
SectionParser.hpp
|
2448
(18 years ago)
by tim:
OptionSectionParser get compiled
|
|
SectionParserManager.cpp
|
2448
(18 years ago)
by tim:
OptionSectionParser get compiled
|
|
OptionSectionParser.hpp
|
2448
(18 years ago)
by tim:
OptionSectionParser get compiled
|
|
ParamConstraint.hpp
|
2448
(18 years ago)
by tim:
OptionSectionParser get compiled
|
|
ParamConstraint.cpp
|
2460
(18 years ago)
by tim:
Adding ParamConstraint.cpp
|
|
ZConsReader.cpp
|
2469
(18 years ago)
by tim:
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser
|
|
OptionSectionParser.cpp
|
2487
(18 years ago)
by gezelter:
Adding handler for CLAY force field
|
|
LennardJonesAtomTypesSectionParser.hpp
|
2498
(18 years ago)
by chuckv:
Added forceOptions to section parser
|
|
StickyAtomTypesSectionParser.cpp
|
2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
|
|
StickyPowerAtomTypesSectionParser.hpp
|
2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
|
|
SCAtomTypesSectionParser.hpp
|
2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
|
|
BondTypesSectionParser.hpp
|
2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
|
|
BendTypesSectionParser.hpp
|
2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
|
|
ShapeAtomTypesSectionParser.hpp
|
2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
|
|
DirectionalAtomTypesSectionParser.hpp
|
2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
|
|
StickyPowerAtomTypesSectionParser.cpp
|
2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
|
|
MultipoleAtomTypesSectionParser.hpp
|
2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
|
|
StickyAtomTypesSectionParser.hpp
|
2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
|
|
ShapeAtomTypesSectionParser.cpp
|
2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
|
|
ChargeAtomTypesSectionParser.hpp
|
2501
(18 years ago)
by chuckv:
Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.
|
|
LennardJonesAtomTypesSectionParser.cpp
|
2538
(18 years ago)
by chuckv:
Added energy scaling to section parsers.
|
|
BondTypesSectionParser.cpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
|
EAMAtomTypesSectionParser.hpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
|
EAMAtomTypesSectionParser.cpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
|
BendTypesSectionParser.cpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
|
ZConsReader.hpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
|
DirectionalAtomTypesSectionParser.cpp
|
2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
|
|
GayBerneAtomTypesSectionParser.hpp
|
2787
(18 years ago)
by gezelter:
Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).
Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).
|
|
GayBerneAtomTypesSectionParser.cpp
|
2787
(18 years ago)
by gezelter:
Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).
Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).
|
|
MultipoleAtomTypesSectionParser.cpp
|
2803
(18 years ago)
by chrisfen:
fixed some typos
|
|
RestWriter.hpp
|
2879
(18 years ago)
by chrisfen:
MPI thermodynamic integration works now.
|
|
RestReader.hpp
|
2903
(18 years ago)
by chrisfen:
more efficient file reading for thermodynamic integration, and fixed some formatting
|
|
DumpWriter.hpp
|
2982
(18 years ago)
by tim:
Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.
|
|
RestWriter.cpp
|
2992
(17 years ago)
by chrisfen:
fixed TI MPI bug
|
|
DumpReader.hpp
|
3102
(17 years ago)
by gezelter:
Adding the ability to compute Center of Mass properties on
reading in a dump file. DumpReader must be told if it needs
to do this, however.
|
|
Globals.hpp
|
3149
(17 years ago)
by chuckv:
Addition of section parser for Spohr water-metal potential.
|
|
Globals.cpp
|
3149
(17 years ago)
by chuckv:
Addition of section parser for Spohr water-metal potential.
|
|
ForceFieldOptions.cpp
|
3152
(17 years ago)
by chuckv:
Non-bonded interactions added.
|
|
SCAtomTypesSectionParser.cpp
|
3152
(17 years ago)
by chuckv:
Non-bonded interactions added.
|
|
ForceFieldOptions.hpp
|
3152
(17 years ago)
by chuckv:
Non-bonded interactions added.
|
|
DumpWriter.cpp
|
3326
(16 years ago)
by xsun:
Nothing important
|
|
MetalNonMetalInteractionsSectionParser.hpp
|
3385
(16 years ago)
by gezelter:
Changing functional form
|
|
ZConsWriter.hpp
|
3388
(16 years ago)
by gezelter:
A bunch of minor changes to make MPI compilation faster than
the double compilation we do now...
|
|
ZConsWriter.cpp
|
3388
(16 years ago)
by gezelter:
A bunch of minor changes to make MPI compilation faster than
the double compilation we do now...
|
|
RestReader.cpp
|
3388
(16 years ago)
by gezelter:
A bunch of minor changes to make MPI compilation faster than
the double compilation we do now...
|
|
StatWriter.cpp
|
3388
(16 years ago)
by gezelter:
A bunch of minor changes to make MPI compilation faster than
the double compilation we do now...
|
|
DumpReader.cpp
|
3404
(16 years ago)
by gezelter:
Fixed a bug in BlockSnapshotManager.
|
|
MetalNonMetalInteractionsSectionParser.cpp
|
3409
(16 years ago)
by chuckv:
Removed accidental print lines.
|
|
TorsionTypesSectionParser.cpp
|
3413
(16 years ago)
by gezelter:
Adding Trappe torsion types and fixing Opls types
|
|
TorsionTypesSectionParser.hpp
|
3413
(16 years ago)
by gezelter:
Adding Trappe torsion types and fixing Opls types
|
|
Makefile
|
3424
(16 years ago)
by gezelter:
Adding infrastructure for Amber force field.
|
|
ChargeAtomTypesSectionParser.cpp
|
3424
(16 years ago)
by gezelter:
Adding infrastructure for Amber force field.
|
|
AtomTypesSectionParser.cpp
|
3424
(16 years ago)
by gezelter:
Adding infrastructure for Amber force field.
|
