ZConstraintForceManager in progress
add getMaxRcutFromAtomType into EAM
MPI version is built
fix a parsing bug in ElectroStaticAtomTypesSectionParser
no message
fix a bug in Exclude List
fix a bug in filling MolMembership
NVE conserved energy, however, potential is not the same as OOPSE-1.0 Step 1 argon in NVE, NVT, NPTi, NPTf and NPTxyz to test integrator Step 2 SSD in NVE to test DLM, dipole, sticky Step 3 Butane in NVE to test Bond Bend Torsion Step 4 EAM Step 5 Shape Step 6 Constraint & Restraint
begin to fix bugs
Fixed a bug in countTokens in StringTokenizer
still have two linking problem
minor fix
remove StreamTokenizer
remove using namespace std in .cpp file
adding qulified name prefix std
replace string by std::string
replace misuse of using namespace std in header files
begin to fix linking problem
oopse get compiled, still has some linking problem
NVT get built
visitors get built
spell check
Change NumericConstant
io get built, next is integrator
brains get built
brains get built, io is next
fix Thermo
more get fixed
rename LocalndexManager.hpp to LocalIndexManager.hpp
add Trim Algorithm for std::string
more get built
StringTokenizer passes unit test
change Makefile
add Electrostatic AtomType Section Parser
adding section parsers
add EAM
DUFF is almost done except error checking
Adding NumericConstant class
add PolynomialBondType, PolynomialBendType, PolynomialTorsionType, HarmonicBendType and CharmmTorsionType. Need to refine the design and add document for them
adding DUFF class; adding checking statement to nextTokenAsInt and nextTokenAsFloat in StringTokenizer
finish DumpReader, DumpWriter.Next Step is LJFF and integrators
bug fix in hasMoreTokens
adding StringUtils, a c-style strtok like class, need unit test
add Snapshot.cpp, remove useless mpiSimulation
More to break
adding ForceField and TypeContainer classes
Fix Exclude class etc.
mess up ......
Adding LocalIndexManager and Migrator. Need unit test
adding MemoryUtils which provide some functions for dealing with memory issue
Molecule, Atom, DirectionalAtom, RigidBody and StuntDouble classes get compiled
This commit was manufactured by cvs2svn to create branch 'new_design'.
More work on StuntDouble, Atom, DirectionalAtom and RigidBody
remove old Vector3d.hpp from application/simpleBuilder
Minor change in next_combination
Done with combination
change documentation of next_combination.hpp
ReplaceWildCard is working
adding replace wildcard function
Minor change
STL next_permutation like next_combination is working
Adding Generic TupleMatcher, wild char matching is on the way
Adding Generic Tuple3 and Tuple4
adding GenericFactory Test Case. GenericFactory now can bed used to creat ForcefieldFactory and IntegratorFactory etc.
more classes get reconstructed
GenericFactory pass unit test
remove some junk files
replace old GebericData with new GenericData
GenericData and PropertyMap pass unit test.
namespace problem prevented linking
more fortran name mangling
working on shapes for portability
changed around findBegin
more tests on math library
fix some bugs in Quaternion class
Working on getting Shapes into OOPSE
adding generic factory and vector test case
adding PropertyMap class
moved the getopt stuff
define DEV_ROOT as relative path
change Makefile to relative path
remove StringUtils.c which cause headache in bulding libutils
*** empty log message ***
change the #include in source files
Import of OOPSE v. 2.0