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root/group/trunk/SHAPES/RigidBody.cpp
Revision 1292 - (view) (annotate) - [select for diffs]
Modified Wed Jun 23 23:19:43 2004 UTC (20 years ago) by chrisfen
File length: 13070 byte(s)
Diff to previous 1288
Spherical harmonic tranformations are fully integrated and working

Revision 1288 - (view) (annotate) - [select for diffs]
Modified Wed Jun 23 20:28:39 2004 UTC (20 years ago) by chrisfen
File length: 12842 byte(s)
Diff to previous 1287
touch up changes

Revision 1287 - (view) (annotate) - [select for diffs]
Modified Wed Jun 23 20:18:48 2004 UTC (20 years ago) by chrisfen
File length: 12841 byte(s)
Diff to previous 1286
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...

Revision 1286 - (view) (annotate) - [select for diffs]
Modified Tue Jun 22 20:38:04 2004 UTC (20 years ago) by chrisfen
File length: 12841 byte(s)
Diff to previous 1285
Now prints out a .xyz file of the reference configuration

Revision 1285 - (view) (annotate) - [select for diffs]
Modified Tue Jun 22 18:04:58 2004 UTC (20 years ago) by chrisfen
File length: 12756 byte(s)
Diff to previous 1283
Fixes to gridbuilder.  Now gives proper sigma, s, and epsilon values

Revision 1283 - (view) (annotate) - [select for diffs]
Modified Mon Jun 21 15:54:27 2004 UTC (20 years ago) by gezelter
File length: 13068 byte(s)
Diff to previous 1282
a few bug fixes

Revision 1282 - (view) (annotate) - [select for diffs]
Modified Mon Jun 21 15:10:29 2004 UTC (20 years ago) by chrisfen
File length: 12999 byte(s)
Diff to previous 1281
Fixed the grid builder rotation problems

Revision 1281 - (view) (annotate) - [select for diffs]
Modified Mon Jun 21 13:38:55 2004 UTC (20 years ago) by chrisfen
File length: 12995 byte(s)
Diff to previous 1279
Now calculates energies and builds the grid files.  There are still bugs, but
it compiles and runs...

Revision 1279 - (view) (annotate) - [select for diffs]
Modified Fri Jun 18 19:01:40 2004 UTC (20 years ago) by chrisfen
File length: 12661 byte(s)
Diff to previous 1276
Built principle axis determination and molecule rotation into calcRefCoords in RigidBody.cpp

Revision 1276 - (view) (annotate) - [select for diffs]
Modified Thu Jun 17 21:27:38 2004 UTC (20 years ago) by chrisfen
File length: 10978 byte(s)
Diff to previous 1271
Cleaned up unused variables.  Added findMaxExtent to RigidBody.cpp

Revision 1271 - (view) (annotate) - [select for diffs]
Added Tue Jun 15 20:20:36 2004 UTC (20 years ago) by gezelter
File length: 10589 byte(s)
Major changes for rigidbodies

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