Revision
1287 -
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Modified
Wed Jun 23 20:18:48 2004 UTC
(20 years, 2 months ago)
by
chrisfen
File length: 7249 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: 6902 byte(s)
Diff to
previous 1285
Now prints out a .xyz file of the reference configuration
Revision
1285 -
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Modified
Tue Jun 22 18:04:58 2004 UTC
(20 years, 2 months ago)
by
chrisfen
File length: 6352 byte(s)
Diff to
previous 1281
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: 6350 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: 6251 byte(s)
Diff to
previous 1275
Built principle axis determination and molecule rotation into calcRefCoords in RigidBody.cpp
Revision
1240 -
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Added
Fri Jun 4 16:11:27 2004 UTC
(20 years, 2 months ago)
by
gezelter
File length: 5865 byte(s)
Initial import of SHAPES code