[ViewVC] Log of: OpenMD/trunk/samples

Revision 670 - Directory Listing - [select for diffs]
Modified Fri Oct 14 16:05:46 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 669

Adding some Gay Berne tests

Revision 669 - Directory Listing - [select for diffs]
Modified Fri Oct 14 16:05:34 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 666

Adding some cutoff tests

Revision 666 - Directory Listing - [select for diffs]
Modified Fri Oct 14 14:18:02 2005 UTC (19 years, 6 months ago) by chrisfen
Diff to previous 661

added default restraint spring constants into Globals

Revision 661 - Directory Listing - [select for diffs]
Modified Wed Oct 12 21:00:26 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 650

Testing new cutoff methods

Revision 650 - Directory Listing - [select for diffs]
Modified Thu Oct 6 18:44:32 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 643

fixing up the samples

Revision 643 - Directory Listing - [select for diffs]
Modified Tue Oct 4 19:32:58 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 639

just some random changes when testing

Revision 639 - Directory Listing - [select for diffs]
Modified Wed Sep 28 18:47:01 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 627

fixed some samples

Revision 627 - Directory Listing - [select for diffs]
Modified Mon Sep 26 14:27:53 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 625

fixing up some samples

Revision 625 - Directory Listing - [select for diffs]
Modified Sat Sep 24 17:38:10 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 612

turned rf on

Revision 612 - Directory Listing - [select for diffs]
Modified Tue Sep 20 15:34:15 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 611

fixed up some sample md files

Revision 611 - Directory Listing - [select for diffs]
Modified Mon Sep 19 23:21:46 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 610

Fixed bugs in reaction field, now it appears as though it really is working...

Revision 610 - Directory Listing - [select for diffs]
Modified Sun Sep 18 20:45:38 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 595

reaction field seems to work now, still need to do some testing...

Revision 595 - Directory Listing - [select for diffs]
Modified Thu Sep 15 00:11:52 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 594

just some testing

Revision 594 - Directory Listing - [select for diffs]
Modified Thu Sep 15 00:11:18 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 584

Equilibrated the sample

Revision 584 - Directory Listing - [select for diffs]
Modified Wed Sep 7 19:18:44 2005 UTC (19 years, 8 months ago) by gezelter
Diff to previous 559

Just a longer test

Revision 559 - Directory Listing - [select for diffs]
Modified Mon Jun 20 16:03:30 2005 UTC (19 years, 10 months ago) by gezelter
Diff to previous 552

fixed a bug and ran a simulation

Revision 552 - Directory Listing - [select for diffs]
Modified Sun May 29 21:15:36 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 551

Updated tap sample

Revision 551 - Directory Listing - [select for diffs]
Modified Sun May 29 21:15:14 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 533

Included a tap dimer for testing purposes

Revision 533 - Directory Listing - [select for diffs]
Modified Wed May 18 12:35:52 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 532

added a tap example for testing purposes

Revision 532 - Directory Listing - [select for diffs]
Modified Tue May 17 22:35:01 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 527

Modifications to tap.  Also correcting changes to the previous merge that were not caught

Revision 527 - Directory Listing - [select for diffs]
Modified Thu May 12 19:43:48 2005 UTC (20 years ago) by chrisfen
Diff to previous 524

Couple of changes for TAP water.  Need to parametrize.

Revision 524 - Directory Listing - [select for diffs]
Modified Thu May 5 15:06:04 2005 UTC (20 years ago) by chrisfen
Diff to previous 523

Changed SHED to TAP

Revision 523 - Directory Listing - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years ago) by chrisfen
Diff to previous 519

OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...

Revision 519 - Directory Listing - [select for diffs]
Modified Fri Apr 29 16:26:27 2005 UTC (20 years ago) by chrisfen
Diff to previous 517

Added TIP4P-Ew

Revision 517 - Directory Listing - [select for diffs]
Modified Wed Apr 27 20:14:03 2005 UTC (20 years ago) by chrisfen
Diff to previous 514

Got rid of write statements and am closer to a working shapes

Revision 514 - Directory Listing - [select for diffs]
Modified Thu Apr 21 14:12:19 2005 UTC (20 years ago) by chrisfen
Diff to previous 504

Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...

Revision 504 - Directory Listing - [select for diffs]
Modified Fri Apr 15 18:41:07 2005 UTC (20 years ago) by tim
Diff to previous 503

add  Makefile of samples

Revision 503 - Directory Listing - [select for diffs]
Modified Fri Apr 15 18:33:03 2005 UTC (20 years ago) by tim
Diff to previous 496

some samples are not installed correctly

Revision 496 - Directory Listing - [select for diffs]
Modified Wed Apr 13 23:29:14 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 477

oops...  bad sample

Revision 477 - Directory Listing - [select for diffs]
Modified Tue Apr 12 20:56:46 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 476

added quadrupole sample

Revision 476 - Directory Listing - [select for diffs]
Modified Tue Apr 12 20:56:20 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 458

updating samples

Revision 458 - Directory Listing - [select for diffs]
Modified Fri Apr 8 22:12:52 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 457

messing with samples

Revision 457 - Directory Listing - [select for diffs]
Modified Fri Apr 8 18:48:04 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 455

oops...  messed up a sample

Revision 455 - Directory Listing - [select for diffs]
Modified Fri Apr 8 14:42:27 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 438

changes during debug of charge-dipole

Revision 438 - Directory Listing - [select for diffs]
Modified Sat Mar 12 19:12:56 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 437

forgot a couple of makefiles

Revision 437 - Directory Listing - [select for diffs]
Modified Sat Mar 12 19:05:16 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 431

added some samples

Revision 431 - Directory Listing - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 428

fixed a bug in MPI restraints

Revision 428 - Directory Listing - [select for diffs]
Modified Thu Mar 10 21:51:20 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 424

messing with the split dipole test cases

Revision 424 - Directory Listing - [select for diffs]
Modified Thu Mar 10 19:11:44 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 423

adding test case  of split dipole

Revision 423 - Directory Listing - [select for diffs]
Modified Thu Mar 10 19:11:02 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 422

Oops...  MPI now builds...

Revision 422 - Directory Listing - [select for diffs]
Modified Thu Mar 10 18:44:02 2005 UTC (20 years, 2 months ago) by tim
Diff to previous 420

adding test case for split dipole

Revision 420 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:27:16 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 419

fixes to restraints

Revision 419 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:15:13 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 417

fixing restraints

Revision 417 - Directory Listing - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 408

First commit of the new restraints code

Revision 408 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:08:50 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 400

addded a few fun charge-dipole test cases

Revision 400 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:05:31 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 375

making some cool test cases

Revision 375 - Directory Listing - [select for diffs]
Modified Tue Feb 22 19:26:05 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 230

Added ssdrf sample

Revision 230 - Directory Listing - [select for diffs]
Modified Wed Dec 1 19:32:45 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 223

fixed a sample

Revision 223 - Directory Listing - [select for diffs]
Modified Wed Nov 24 18:05:55 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 222

oops...

Revision 222 - Directory Listing - [select for diffs]
Modified Tue Nov 23 22:50:17 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 220

Back to normal... Oh... Restraints should work in parallel now

Revision 220 - Directory Listing - [select for diffs]
Modified Tue Nov 23 22:47:47 2004 UTC (20 years, 5 months ago) by chrisfen
Diff to previous 216

just some testing changes, I'll return to the original on next commit

Revision 216 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:48:20 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 212

working sample

Revision 212 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:46:02 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 201

Fun with ice

Revision 201 - Directory Listing - [select for diffs]
Modified Thu Nov 4 16:20:02 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 200

testing force fields

Revision 200 - Directory Listing - [select for diffs]
Modified Thu Nov 4 16:19:54 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 193

testing shapes

Revision 193 - Directory Listing - [select for diffs]
Modified Fri Oct 29 22:27:49 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 178

shorter run

Revision 178 - Directory Listing - [select for diffs]
Modified Thu Oct 28 17:20:10 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 176

forgot the orientation line

Revision 176 - Directory Listing - [select for diffs]
Modified Thu Oct 28 16:55:58 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 156

uncommented .in line

Revision 156 - Directory Listing - [select for diffs]
Modified Tue Oct 26 22:24:30 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 57

adding sample shape directory

Revision 57 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:23:58 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 56

fix Makefile under water directory

Revision 56 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:23:14 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 55

remove argon.dump and argon.eor from Makefile

Revision 55 - Directory Listing - [select for diffs]
Modified Sat Oct 9 06:01:55 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 51

Remove some Makefile.in

Revision 51 - Directory Listing - [select for diffs]
Modified Fri Oct 8 22:04:25 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 2

add Makefile to sample directory

Revision 2 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter

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