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Revision 1361 - Directory Listing - [select for diffs]
Modified Tue Jul 20 20:22:43 2004 UTC (20 years, 9 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 (20 years, 9 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 (20 years, 10 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months 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, 10 months ago) by gezelter 
Initial import of SHAPES code

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