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 , to selected 1822

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 , to selected 1822

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 , to selected 1822

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 , to selected 1822

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 , to selected 1822

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 , to selected 1822

change the #include in source files

Import of OOPSE v. 2.0