Added the SPC water model
Converted D's to E's in the funcfl files so that C can read them.
changing file extensions to be more in line with what's actually in the file
Added a bunch of files for EAM variants
reorg of EAM force fields to have variants
Moved to SHAPES
*** empty log message ***
Changes for SHAPES potential
fix whole bunch of bugs :-)
Added the WATER.frc force field
Substantial changes. OOPSE now has a working WATER.cpp forcefield and parser. This involved changes to WATER.cpp and ForceFields amoung other files. One important note: a hardwiring of LJ_rcut was made in calc_LJ_FF.F90. This will be removed on the next commit...
Updated the default water to SSD/E
backed up the old DUFF.frc to backup.DUFF.frc alte4red masses and epsilons of TB2 and TB3 in DUFF.frc
added eam ForceField files to the init
Changes to autoconf / configure method of configuring OOPSE
formatting fixes and new atypes in LJFF
fixed a few references to older stuff...
Changes for SSD/E
Switched the bond in the force field back to constrained, to preserve energy
Changed over the bonds to Harmonic bonds in the DUFF frc file
added Harmonic bod into the DUFF forcefield and BondExtensions.cpp
slowly converting to new integrator and forcefield names.
Added Teng's parmeters fro the ghost Bend in TraPPE_Ex
finished adding the Tail beads into the Trappe extended force field
added the TailBead atom types to the TraPPe_Ex forceField
fixed up the TraPPE_Ex force field. there were some duplicate entries
added the utils subdirectory to the configure script added the CH branching group to the TraPPE_Ex fource field
Added eam force files...
added Ghost bends to the TraPPE_Ex forceField
added links to the makefile in forceFields
Makefile fixes, directory re-org, autoconf fixes
Fixed makefile
Makefile for forceFields
This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches.