[ViewVC] Log of: OpenMD/trunk/forceFields

Revision 684 - Directory Listing - [select for diffs]
Modified Tue Oct 18 21:13:21 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 683

Fixing GB parameters

Revision 683 - Directory Listing - [select for diffs]
Modified Tue Oct 18 18:36:14 2005 UTC (19 years, 6 months ago) by kdaily
Diff to previous 668

Changed the parameters for the Gay-Berne type

Revision 668 - Directory Listing - [select for diffs]
Modified Fri Oct 14 15:44:37 2005 UTC (19 years, 6 months ago) by kdaily
Diff to previous 660

Add parts for the GayBerne LJ

Revision 660 - Directory Listing - [select for diffs]
Modified Wed Oct 12 21:00:11 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 634

Messing with 2-point water models

Revision 634 - Directory Listing - [select for diffs]
Modified Wed Sep 28 16:32:21 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 593

Added DIP atom types for 2-point water model

Revision 593 - Directory Listing - [select for diffs]
Modified Thu Sep 15 00:10:58 2005 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 550

re-added Cl- and Na+

Revision 550 - Directory Listing - [select for diffs]
Modified Sun May 29 21:14:38 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 535

Re-entered the TIP4P-Ew water model. It was apparently wiped earlier this month...

Revision 535 - Directory Listing - [select for diffs]
Modified Wed May 18 19:06:22 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 532

just some tap changes

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 529

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

Revision 529 - Directory Listing - [select for diffs]
Modified Tue May 17 02:09:25 2005 UTC (19 years, 11 months ago) by kdaily
Diff to previous 528

added gb

Revision 528 - Directory Listing - [select for diffs]
Modified Fri May 13 20:36:15 2005 UTC (19 years, 11 months ago) by chrisfen
Diff to previous 527

Better tap

Revision 527 - Directory Listing - [select for diffs]
Modified Thu May 12 19:43:48 2005 UTC (19 years, 11 months 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 464

Added TIP4P-Ew

Revision 464 - Directory Listing - [select for diffs]
Modified Mon Apr 11 20:18:53 2005 UTC (20 years ago) by chrisfen
Diff to previous 454

fixing of the quadrupoles

Revision 454 - Directory Listing - [select for diffs]
Modified Fri Apr 8 14:41:40 2005 UTC (20 years ago) by chrisfen
Diff to previous 446

added Cl- and Na+

Revision 446 - Directory Listing - [select for diffs]
Modified Mon Mar 21 22:34:40 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 444

Corrected changes to the forcefield files

Revision 444 - Directory Listing - [select for diffs]
Modified Mon Mar 21 20:50:44 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 433

Chris debugging stuff.  HE WILL CHANGE THIS BACK, RIGHT?

Revision 433 - Directory Listing - [select for diffs]
Modified Fri Mar 11 15:52:59 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 418

quadrupoles for SSD models

Revision 418 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:14:07 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 414

minor change

Revision 414 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:58:33 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 412

fix a bug in SectionParser (lineNo is not updated)

Revision 412 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:28:11 2005 UTC (20 years, 1 month ago) by tim
Diff to previous 399

change the format of DUFF2

Revision 399 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:05:18 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 272

Added a charge for Chlorine

Revision 272 - Directory Listing - [select for diffs]
Modified Mon Jan 17 22:17:20 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 268

forget to set dipole for lipid head group

Revision 268 - Directory Listing - [select for diffs]
Modified Fri Jan 14 21:37:28 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 245

sync Makefile

Revision 245 - Directory Listing - [select for diffs]
Modified Wed Jan 12 17:25:52 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 244

remove some useless force fields

Revision 244 - Directory Listing - [select for diffs]
Modified Tue Jan 11 16:36:50 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 243

adding new format of EAM force field

Revision 243 - Directory Listing - [select for diffs]
Modified Tue Jan 11 16:23:42 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 241

rename newDUFF.frc to DUFF2.frc

Revision 241 - Directory Listing - [select for diffs]
Modified Thu Dec 16 19:00:23 2004 UTC (20 years, 4 months ago) by tim
Diff to previous 237

adding new EAM force field files

Revision 237 - Directory Listing - [select for diffs]
Modified Tue Dec 7 02:18:54 2004 UTC (20 years, 4 months ago) by tim
Diff to previous 236

merge WATER force field into DUFF

Revision 236 - Directory Listing - [select for diffs]
Modified Tue Dec 7 01:33:42 2004 UTC (20 years, 4 months ago) by tim
Diff to previous 235

change the force constant of bonds

Revision 235 - Directory Listing - [select for diffs]
Modified Sun Dec 5 22:21:55 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 234

minor fix in DUFF

Revision 234 - Directory Listing - [select for diffs]
Modified Sun Dec 5 17:12:18 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 233

minor fix in force field file

Revision 233 - Directory Listing - [select for diffs]
Modified Fri Dec 3 00:06:11 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 232

minor fix

Revision 232 - Directory Listing - [select for diffs]
Modified Thu Dec 2 23:15:04 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 219

new ForceField format

Revision 219 - Directory Listing - [select for diffs]
Modified Fri Nov 19 20:37:11 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 218

new DUFF forcefield

Revision 218 - Directory Listing - [select for diffs]
Modified Thu Nov 18 21:42:31 2004 UTC (20 years, 5 months ago) by tim
Diff to previous 58

adding new format DUFF force field

Revision 58 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:26:10 2004 UTC (20 years, 6 months ago) by tim
Diff to previous 2

add Makefile

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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