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 1694

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 1694

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 1694

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 1694

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 , to selected 1694

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 1694

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 1694

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

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 1694

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 1694

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 1694

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 1694

change the #include in source files

Import of OOPSE v. 2.0