Revision 1901 - (view) (annotate) - [select for diffs]
Modified Tue Jan 4 22:18:36 2005 UTC (19 years, 6 months ago) by tim
File length: 5234 byte(s)
Diff to previous 1883

constraints in progress

MPI version is built

Revision 1854 - (view) (annotate) - [select for diffs]
Modified Sun Dec 5 22:02:42 2004 UTC (19 years, 7 months ago) by tim
File length: 5346 byte(s)
Diff to previous 1847

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

Revision 1827 - (view) (annotate) - [select for diffs]
Modified Thu Dec 2 05:06:26 2004 UTC (19 years, 7 months ago) by tim
File length: 5344 byte(s)
Diff to previous 1822

remove using namespace std in .cpp file

oopse get compiled, still has some linking problem

Revision 1820 - (view) (annotate) - [select for diffs]
Modified Thu Dec 2 00:09:35 2004 UTC (19 years, 7 months ago) by tim
File length: 5345 byte(s)
Diff to previous 1804

NVE get built

fix Thermo

Revision 1725 - (view) (annotate) - [select for diffs]
Modified Wed Nov 10 22:01:06 2004 UTC (19 years, 7 months ago) by tim
File length: 6186 byte(s)
Diff to previous 1722

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

adding ForceManager

Revision 1695 - (view) (annotate) - [select for diffs]
Modified Mon Nov 1 22:52:57 2004 UTC (19 years, 8 months ago) by tim
File length: 10422 byte(s)
Diff to previous 1683

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

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

Revision 1492 - (view) (annotate) - [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/brains/Thermo.cpp
File length: 9957 byte(s)
Diff to previous 1490

change the #include in source files

Import of OOPSE v. 2.0