Revision
1292 -
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Modified
Wed Jun 23 23:19:43 2004 UTC
(20 years, 2 months ago)
by
chrisfen
File length: 13070 byte(s)
Diff to
previous 1288
Spherical harmonic tranformations are fully integrated and working
Revision
1287 -
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Modified
Wed Jun 23 20:18:48 2004 UTC
(20 years, 2 months 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 -
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Modified
Tue Jun 22 20:38:04 2004 UTC
(20 years, 2 months ago)
by
chrisfen
File length: 12841 byte(s)
Diff to
previous 1285
Now prints out a .xyz file of the reference configuration
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1285 -
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Modified
Tue Jun 22 18:04:58 2004 UTC
(20 years, 2 months ago)
by
chrisfen
File length: 12756 byte(s)
Diff to
previous 1283
Fixes to gridbuilder. Now gives proper sigma, s, and epsilon values
Revision
1281 -
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Modified
Mon Jun 21 13:38:55 2004 UTC
(20 years, 2 months 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 -
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Modified
Fri Jun 18 19:01:40 2004 UTC
(20 years, 2 months 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 -
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Modified
Thu Jun 17 21:27:38 2004 UTC
(20 years, 3 months ago)
by
chrisfen
File length: 10978 byte(s)
Diff to
previous 1271
Cleaned up unused variables. Added findMaxExtent to RigidBody.cpp
Revision
1271 -
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Added
Tue Jun 15 20:20:36 2004 UTC
(20 years, 3 months ago)
by
gezelter
File length: 10589 byte(s)
Major changes for rigidbodies