Made the file reading more intelligent in Restraints. No longer gives uninformative seg faults.
Restraint loop is now more versatile
Fixed an algorithm error for thermodynamic integration with charges
removed antique code and fixed linking problem
removing old copies of sysBuild
refine Vector3d.hpp
remove anonymous struct from Vector3d.hpp
change butane.md
First documentation in OOPSE!
added zcons directory
add Makefile.in into zcons
add zconstraint samples
simpleBuilder version 1.0
working version of simpleBuilder
simpleBuilder is built but Makefile is broken
add function isAtomInRigidBody into MoleculeStamp
add getForcefiled into simSetup
simpleBuilder in progress
SimpleBuilder in progress
Added utility functions to grab the mass from the force field.
add simpleBuilder
refactorize Lattice class
Forgot to add them
change parameter of calling sprintf
BASS eradication project (part 4)
BASS eradication project (part 3)
BASS eradication project (part 2)
BASS eradication project (part 1)
better error messages
Fixing required keyword annoyances
Fixing ifdef lines
fixed an ifdef problem
Install procedure modifications
warning message for nProcessors > nMolecules
modify 5x5.bass
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add init files
add init file
rename NVT.bass to argonNVT.bass
add 5x5.in
add butane.in
changed minimizer keywords
fixed typo
fixed sample makefile
minimizer sample changes
removed beadLipid
remove beadLipid
Added core-shell nanoparticle files.
remove TP4init.in
change init file name for tip4p and tip3p_ice
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change init file name for ssd
remove SPCEInit.in
change names for init file
remove eor file from cvs tree at minimizer/water directory
change init file name in lipid directory
remove beadLipid
remove init_argon.eor
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remove eor file
change names for argon
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add init file for ssde
Fixed bug in calc_eam with mixtures and cutoffs associated with mixture.
support SSD_E SSD_RF SSD1
SSDVisitor support SSD_RF, SSD_E, SSD1 now
remove ^M from ZConsReader.cpp
remove unsupport keyword
Changed init files to be more OOPSE like...
added sample directory
fixed icc7 incompatibility in linking
Added tip3p_ice to Makefile
Added sample files for bulk metals and a bass file for both voter and FBD formulations of EAM.
Checked a bug where eor file wasn't being written at the end of the run
Fixed a bug where eor file wasn't being written at the end of the run
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cleaning up for export
removing staticProps from cvs tree
removing staticProps from cvs tree
removing static props from OOPSE-1.0 tree
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fixing getopt_long
change protected method writeCorrs to public
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minor fix of format string in quicklate.c
remove zsub from cvs tree
remove some comment lines
remove an extra semicolon from OOPSEMinimizer.hpp
Shouldn't have been in CVS
Fix for thermodynamic integration of rigid bodies
These can be generated via lex and yacc at compile time
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changes for gnu getopt and fixed SPRNG configure script
fixing for machines that don't have lex and yacc
Makefiles don't belong in cvs repository
Makefiles don't belong in repository
Makefiles don't belong in repository
Updated configure for new samples
tip4p makefile.in added
ssde makefile.in added
ssd files sorted added
spce makefile.in added
dimer files added
Cleaned up this file considerably
Initial import of OOPSE-1.0 source tree