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Revision 1361 - Directory Listing - [select for diffs]
Modified Tue Jul 20 20:22:43 2004 UTC (19 years, 11 months ago) by gezelter
Diff to previous 1360 
using gengetopts --unamed-opts="SHAPEFILE [OUTPUTFILE]"
Revision 1360 - Directory Listing - [select for diffs]
Modified Tue Jul 20 20:02:15 2004 UTC (19 years, 11 months ago) by gezelter
Diff to previous 1320 
Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
Revision 1320 - Directory Listing - [select for diffs]
Modified Wed Jun 30 20:42:20 2004 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 1317 
Added C70 sample
Revision 1317 - Directory Listing - [select for diffs]
Modified Tue Jun 29 03:05:57 2004 UTC (20 years ago) by gezelter
Diff to previous 1316 
fixes
Revision 1316 - Directory Listing - [select for diffs]
Modified Mon Jun 28 23:07:18 2004 UTC (20 years ago) by chrisfen
Diff to previous 1315 
Got rid of the _RB_0 in the shape name
Revision 1315 - Directory Listing - [select for diffs]
Modified Mon Jun 28 23:05:25 2004 UTC (20 years ago) by chrisfen
Diff to previous 1314 
Added a range parameter to the visualizer
Revision 1314 - Directory Listing - [select for diffs]
Modified Mon Jun 28 22:06:46 2004 UTC (20 years ago) by gezelter
Diff to previous 1313 
started functions
Revision 1313 - Directory Listing - [select for diffs]
Modified Sat Jun 26 15:40:49 2004 UTC (20 years ago) by chrisfen
Diff to previous 1312 
Tolerance input is accepted with the -t flag (default 0.01)
Revision 1312 - Directory Listing - [select for diffs]
Modified Sat Jun 26 15:32:12 2004 UTC (20 years ago) by chrisfen
Diff to previous 1311 
Setting up shaper to accept a tolerance
Revision 1311 - Directory Listing - [select for diffs]
Modified Fri Jun 25 22:16:39 2004 UTC (20 years ago) by chrisfen
Diff to previous 1310 
Recentering of the visualized potentials, adding tolerance option
Revision 1310 - Directory Listing - [select for diffs]
Modified Fri Jun 25 20:11:44 2004 UTC (20 years ago) by chrisfen
Diff to previous 1309 
Added 2 new samples
Revision 1309 - Directory Listing - [select for diffs]
Modified Fri Jun 25 20:10:53 2004 UTC (20 years ago) by chrisfen
Diff to previous 1308 
Coefficients are now multiplied by the normalization factor - no longer do we need normalization in the visualizer
Revision 1308 - Directory Listing - [select for diffs]
Modified Fri Jun 25 18:58:12 2004 UTC (20 years ago) by chrisfen
Diff to previous 1307 
Fixed the phi grid range for the final time (hopefully)
Revision 1307 - Directory Listing - [select for diffs]
Modified Fri Jun 25 18:33:17 2004 UTC (20 years ago) by gezelter
Diff to previous 1306 
atan2, not atan!
Revision 1306 - Directory Listing - [select for diffs]
Modified Fri Jun 25 17:54:51 2004 UTC (20 years ago) by chrisfen
Diff to previous 1305 
Really fixed the phi range problem.  Apparently s2Kit10 has a data in ordering problem
Revision 1305 - Directory Listing - [select for diffs]
Modified Fri Jun 25 17:51:51 2004 UTC (20 years ago) by chrisfen
Diff to previous 1304 
Changed gridbuilder phi range to run from pi/2 to 2pi+pi/2
Revision 1304 - Directory Listing - [select for diffs]
Modified Thu Jun 24 23:07:12 2004 UTC (20 years ago) by chrisfen
Diff to previous 1303 
Fixed the pdb files
Revision 1303 - Directory Listing - [select for diffs]
Modified Thu Jun 24 22:26:30 2004 UTC (20 years ago) by chrisfen
Diff to previous 1302 
New cholesterol.pdb
Revision 1302 - Directory Listing - [select for diffs]
Modified Thu Jun 24 21:48:08 2004 UTC (20 years ago) by chrisfen
Diff to previous 1301 
Added cholesterol
Revision 1301 - Directory Listing - [select for diffs]
Modified Thu Jun 24 21:21:04 2004 UTC (20 years ago) by chrisfen
Diff to previous 1300 
More samples added
Revision 1300 - Directory Listing - [select for diffs]
Modified Thu Jun 24 19:06:47 2004 UTC (20 years ago) by gezelter
Diff to previous 1299 
Fixes for visualizer for amira
Revision 1299 - Directory Listing - [select for diffs]
Modified Thu Jun 24 15:56:05 2004 UTC (20 years ago) by gezelter
Diff to previous 1298 
work on visualizer
Revision 1298 - Directory Listing - [select for diffs]
Modified Thu Jun 24 15:47:52 2004 UTC (20 years ago) by chrisfen
Diff to previous 1297 
Shape file output format adjusted
Revision 1297 - Directory Listing - [select for diffs]
Modified Thu Jun 24 15:35:59 2004 UTC (20 years ago) by gezelter
Diff to previous 1296 
Added a few samples
Revision 1296 - Directory Listing - [select for diffs]
Modified Thu Jun 24 15:35:50 2004 UTC (20 years ago) by gezelter
Diff to previous 1295 
got rid of sample PDB files.  Others will be added later in samples directory
Revision 1295 - Directory Listing - [select for diffs]
Modified Thu Jun 24 15:31:52 2004 UTC (20 years ago) by gezelter
Diff to previous 1294 
renamed forcer, modified factorial, fixed makefile
Revision 1294 - Directory Listing - [select for diffs]
Modified Thu Jun 24 13:44:53 2004 UTC (20 years ago) by chrisfen
Diff to previous 1293 
Removed some unnecessary C functions from the SHT code
Revision 1293 - Directory Listing - [select for diffs]
Modified Wed Jun 23 23:47:56 2004 UTC (20 years ago) by chrisfen
Diff to previous 1292 
Added more friendly progress comments
Revision 1292 - Directory Listing - [select for diffs]
Modified Wed Jun 23 23:19:43 2004 UTC (20 years ago) by chrisfen
Diff to previous 1291 
Spherical harmonic tranformations are fully integrated and working
Revision 1291 - Directory Listing - [select for diffs]
Modified Wed Jun 23 22:43:54 2004 UTC (20 years ago) by gezelter
Diff to previous 1290 
Added evaluation stuff
Revision 1290 - Directory Listing - [select for diffs]
Modified Wed Jun 23 20:53:17 2004 UTC (20 years ago) by gezelter
Diff to previous 1289 
Adding visualization parts
Revision 1289 - Directory Listing - [select for diffs]
Modified Wed Jun 23 20:48:08 2004 UTC (20 years ago) by chrisfen
Diff to previous 1288 
Fixed linking specification issues
Revision 1288 - Directory Listing - [select for diffs]
Modified Wed Jun 23 20:28:39 2004 UTC (20 years ago) by chrisfen
Diff to previous 1287 
touch up changes
Revision 1287 - Directory Listing - [select for diffs]
Modified Wed Jun 23 20:18:48 2004 UTC (20 years ago) by chrisfen
Diff to previous 1286 
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
Revision 1286 - Directory Listing - [select for diffs]
Modified Tue Jun 22 20:38:04 2004 UTC (20 years ago) by chrisfen
Diff to previous 1285 
Now prints out a .xyz file of the reference configuration
Revision 1285 - Directory Listing - [select for diffs]
Modified Tue Jun 22 18:04:58 2004 UTC (20 years ago) by chrisfen
Diff to previous 1283 
Fixes to gridbuilder.  Now gives proper sigma, s, and epsilon values
Revision 1283 - Directory Listing - [select for diffs]
Modified Mon Jun 21 15:54:27 2004 UTC (20 years ago) by gezelter
Diff to previous 1282 
a few bug fixes
Revision 1282 - Directory Listing - [select for diffs]
Modified Mon Jun 21 15:10:29 2004 UTC (20 years ago) by chrisfen
Diff to previous 1281 
Fixed the grid builder rotation problems
Revision 1281 - Directory Listing - [select for diffs]
Modified Mon Jun 21 13:38:55 2004 UTC (20 years ago) by chrisfen
Diff to previous 1280 
Now calculates energies and builds the grid files.  There are still bugs, but
it compiles and runs...
Revision 1280 - Directory Listing - [select for diffs]
Modified Fri Jun 18 19:40:31 2004 UTC (20 years ago) by chrisfen
Diff to previous 1279 
Fixed XCode auto-indent to match XEmacs
Revision 1279 - Directory Listing - [select for diffs]
Modified Fri Jun 18 19:01:40 2004 UTC (20 years ago) by chrisfen
Diff to previous 1278 
Built principle axis determination and molecule rotation into calcRefCoords in RigidBody.cpp
Revision 1278 - Directory Listing - [select for diffs]
Modified Thu Jun 17 21:35:22 2004 UTC (20 years ago) by chrisfen
Diff to previous 1277 
GridBuilder updates grid vectors
Revision 1277 - Directory Listing - [select for diffs]
Modified Thu Jun 17 21:29:17 2004 UTC (20 years ago) by chrisfen
Diff to previous 1276 
Added GridBuilder.cpp and .hpp.  Doesn't calculate energies yet...
Revision 1276 - Directory Listing - [select for diffs]
Modified Thu Jun 17 21:27:38 2004 UTC (20 years ago) by chrisfen
Diff to previous 1275 
Cleaned up unused variables.  Added findMaxExtent to RigidBody.cpp
Revision 1275 - Directory Listing - [select for diffs]
Modified Tue Jun 15 22:36:23 2004 UTC (20 years ago) by chrisfen
Diff to previous 1274 
Added a bandwidth command-line option
Revision 1274 - Directory Listing - [select for diffs]
Modified Tue Jun 15 20:29:26 2004 UTC (20 years ago) by gezelter
Diff to previous 1273 
bug fix on vdw files
Revision 1273 - Directory Listing - [select for diffs]
Modified Tue Jun 15 20:24:51 2004 UTC (20 years ago) by gezelter
Diff to previous 1272 
fixed a subdirs bug
Revision 1272 - Directory Listing - [select for diffs]
Modified Tue Jun 15 20:23:13 2004 UTC (20 years ago) by gezelter
Diff to previous 1271 
configure isn't really necessary
Revision 1271 - Directory Listing - [select for diffs]
Modified Tue Jun 15 20:20:36 2004 UTC (20 years ago) by gezelter
Diff to previous 1247 
Major changes for rigidbodies
Revision 1247 - Directory Listing - [select for diffs]
Modified Fri Jun 4 16:26:37 2004 UTC (20 years ago) by gezelter
Diff to previous 1244 
Fixes
Revision 1244 - Directory Listing - [select for diffs]
Modified Fri Jun 4 16:21:23 2004 UTC (20 years ago) by gezelter
Diff to previous 1243 
Migrated vdw files from OOPSE
Revision 1243 - Directory Listing - [select for diffs]
Modified Fri Jun 4 16:19:16 2004 UTC (20 years ago) by gezelter
Diff to previous 1242 
fixing for a separate existence
Revision 1242 - Directory Listing - [select for diffs]
Modified Fri Jun 4 16:13:45 2004 UTC (20 years ago) by gezelter
Diff to previous 1240 
forcer was a binary
Revision 1240 - Directory Listing - [select for diffs]
Added Fri Jun 4 16:11:27 2004 UTC (20 years ago) by gezelter 
Initial import of SHAPES code

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