Oops... MPI now builds...
minor change
First commit of the new restraints code
fix a bug in SectionParser (lineNo is not updated)
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
Dunno
Fixing a bug in BitSet.cpp
avoid using const char*(hope can fixed the missing atom type problem)
adding MersenneTwister random number generator
adding soft potential to LJ Module
adding basic_teebuf which can operate on multiple stream simutaneously.
adding LipidTransVisitor, GofXyz is working now
dynamicProps get built
adding dynamicProps
fix a bug in SimInfo, use number of cutoff stamp as counter to loop over rigidbody stamp
(1) complete section parser's error message (2) add GhostTorsion (3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
moved Package variable into subdirectory makefiles to speed up the building process
using c library to do conversion instead of using iostream due to a bug in libstdc++(GCC 3.2)
port to SGI platform
remove useless debug info
merging new_design branch into OOPSE-2.0
improved restraints - mpi should work fine
Improvements to restraints
replace old GebericData with new GenericData
fix some bugs in Quaternion class
fix a bunch of bugs
change const_cast to statc_const
fix a bug in basic_ifstrstream.hpp
fix include
add checkFilename Option
adding basic_ifstrstream
FileReader in progress
define DEV_ROOT as relative path
change Makefile to relative path
add yacc and lex rules
change the #include in source files
Import of OOPSE v. 2.0