Adding NumericConstant class

Revision 1751 - Directory Listing - [select for diffs]
Modified Thu Nov 18 04:12:28 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1748 , to selected 1719

remove some junk files

UreyBradleyBend and GhostBend

Revision 1747 - Directory Listing - [select for diffs]
Modified Wed Nov 17 18:58:49 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1746 , to selected 1719

more types stuff and Chebyshev Polynomial

add  PolynomialBondType, PolynomialBendType, PolynomialTorsionType, HarmonicBendType and CharmmTorsionType. Need to refine the design and add document for them

Revision 1742 - Directory Listing - [select for diffs]
Modified Tue Nov 16 20:36:18 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1738 , to selected 1719

BondType, BendType and TorsionType

refactory, refactory, refactory

Revision 1734 - Directory Listing - [select for diffs]
Modified Fri Nov 12 07:05:43 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1733 , to selected 1719

MoleculeCreator forget to create CutoffGroups for free atoms

OOPSE = Object-Obfuscated Parallel Simulation Engine

Revision 1725 - Directory Listing - [select for diffs]
Modified Wed Nov 10 22:01:06 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1719

another painful day
(1) SimCreator, SimInfo, mpiSimulation
(2) DumpReader, DumpWriter (InitializeFrom File will be removed)
(3) ForceField (at least LJ) and BondType, BendType, TorsionType
(4)Integrator
(5)oopse.cpp
(6)visitors & Dump2XYZ
(7)SimpleBuilder
(8)Constraint & ZConstraint

Fix Exclude class etc.

Revision 1713 - Directory Listing - [select for diffs]
Modified Fri Nov 5 02:56:22 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1702 , to selected 1719

Pain......

ForceFiled get compiled. Still a long way to go ......

Revision 1701 - Directory Listing - [select for diffs]
Modified Wed Nov 3 16:08:43 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1696 , to selected 1719

mess up ......

adding SimModel(something similar as SimInfo)

Revision 1695 - Directory Listing - [select for diffs]
Modified Mon Nov 1 22:52:57 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1694 , to selected 1719

Molecule, Atom, DirectionalAtom, RigidBody and StuntDouble classes get compiled

add initial version of Bond, Bend and Torsion.

Revision 1692 - Directory Listing - [select for diffs]
Modified Mon Nov 1 20:15:58 2004 UTC (19 years, 8 months ago) by tim
Diff to previous 1683 , to selected 1719

break, break and break.....

This commit was manufactured by cvs2svn to create branch 'new_design'.

Revision 1625 - Directory Listing - [select for diffs]
Modified Thu Oct 21 16:22:01 2004 UTC (19 years, 8 months ago) by tim
Original Path: trunk/OOPSE-3.0/src/primitives
Diff to previous 1559 , to selected 1719

replace old GebericData with  new GenericData

change #include "mpi.h" to #include <mpi.h> in AbstractClasses.hpp

Revision 1513 - Directory Listing - [select for diffs]
Modified Wed Sep 29 21:55:03 2004 UTC (19 years, 9 months ago) by tim
Original Path: trunk/OOPSE-3.0/src/primitives
Diff to previous 1503 , to selected 1719

define DEV_ROOT as relative path

change Makefile to relative path

Revision 1492 - Directory Listing - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (19 years, 9 months ago) by tim
Original Path: trunk/OOPSE-3.0/src/primitives
Diff to previous 1490 , to selected 1719

change the #include in source files

Import of OOPSE v. 2.0