 ../
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Algorithm.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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CaseConversion.hpp
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2516
(18 years ago)
by tim:
make minor change to build oopse under solaris
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ElementsTable.cpp
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3448
(15 years ago)
by gezelter:
Added some logic to print out a special pair distance as a column in
the stat file. To use this feature, use taggedAtomPair = "0, 10" and
printTaggedPairDistance = "true" in the md file. Then, the distance
between integrableObjects 0 and 10 will be computed and printed in
the stat file on each statWrite.
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ElementsTable.hpp
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3319
(16 years ago)
by gezelter:
Removed older version of openbabel from our code. We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need. Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
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GenericData.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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GenericFactory.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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LocalIndexManager.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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Makefile.in
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3432
(16 years ago)
by gezelter:
Changes for implementing Amber force field: Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.
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MemoryUtils.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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MoLocator.cpp
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3036
(17 years ago)
by gezelter:
fixing bugs in randomBuilder
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MoLocator.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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NumericConstant.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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OOPSEBitSet.cpp
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2469
(18 years ago)
by tim:
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser
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OOPSEBitSet.hpp
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2469
(18 years ago)
by tim:
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser
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OOPSEConstant.hpp
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3327
(16 years ago)
by xsun:
fixed bug in physmem for 64 bit machines
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OOPSEException.hpp
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2544
(18 years ago)
by tim:
instead of printing to std::cout, throwing an exception when error is found.
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ParameterManager.hpp
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3448
(15 years ago)
by gezelter:
Added some logic to print out a special pair distance as a column in
the stat file. To use this feature, use taggedAtomPair = "0, 10" and
printTaggedPairDistance = "true" in the md file. Then, the distance
between integrableObjects 0 and 10 will be computed and printed in
the stat file on each statWrite.
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Predicate.hpp
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2515
(18 years ago)
by tim:
the standard library came with SUN compiler does not have a conforming std::use_facet, define a macro
to handle it. Adding exception handling to SimCreator.
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PropertyMap.cpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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PropertyMap.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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StringTokenizer.cpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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StringTokenizer.hpp
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3437
(15 years ago)
by gezelter:
Many fixes
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StringUtils.cpp
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2982
(17 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.
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StringUtils.hpp
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3437
(15 years ago)
by gezelter:
Many fixes
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Trim.cpp
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2212
(19 years ago)
by tim:
adding CharClassificationFunctor to fix the locale problem of c++
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Trim.hpp
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2212
(19 years ago)
by tim:
adding CharClassificationFunctor to fix the locale problem of c++
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Tuple.hpp
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3424
(16 years ago)
by gezelter:
Adding infrastructure for Amber force field.
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TupleMatcher.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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TypeContainer.hpp
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3437
(15 years ago)
by gezelter:
Many fixes
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TypeInfo.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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Utility.cpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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Utility.hpp
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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any.hpp
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2577
(18 years ago)
by gezelter:
Fixing some compile-time warnings and bugs for icc 9.1 on Mac OS X
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definitions.F90
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2758
(18 years ago)
by gezelter:
Adding single precision capabilities to the fortran side
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fError.c
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2547
(18 years ago)
by gezelter:
autoconf modernization and cruft removal
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getopt.c
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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getopt1.c
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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gnugetopt.h
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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interpolation.F90
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2802
(18 years ago)
by gezelter:
testing GB, removing CM drift in Langevin Dynamics, fixing a memory
leak, adding a visitor
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next_combination.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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oopseMPI.F90
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2262
(19 years ago)
by chuckv:
Added subroutine to set cuttoff for Interaction map and function in simulation.F90 to determine if a particular atype is present in a simulation.
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physmem.c
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3327
(16 years ago)
by xsun:
fixed bug in physmem for 64 bit machines
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physmem.h
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3327
(16 years ago)
by xsun:
fixed bug in physmem for 64 bit machines
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residentMem.c
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3003
(17 years ago)
by gezelter:
fixed a DumpReader bug, took out extra printing statements in
residentMem and BlockSnapshotManager
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residentMem.h
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2759
(18 years ago)
by tim:
Adding single precision capabilities to c++ side
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simError.c
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3388
(16 years ago)
by gezelter:
A bunch of minor changes to make MPI compilation faster than
the double compilation we do now...
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simError.h
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3388
(16 years ago)
by gezelter:
A bunch of minor changes to make MPI compilation faster than
the double compilation we do now...
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status.F90
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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vector_class.F90
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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wildcards.cpp
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1974
(19 years ago)
by tim:
minor change in BitSet
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wildcards.hpp
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2204
(19 years ago)
by gezelter:
xemacs has been drafted to perform our indentation services
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