[ViewVC] Log of: OpenMD/trunk/forceFields

Revision 683 - Directory Listing - [select for diffs]
Modified Tue Oct 18 18:36:14 2005 UTC (20 years, 4 months ago) by kdaily
Diff to previous 668 , to selected 519

Changed the parameters for the Gay-Berne type

Revision 668 - Directory Listing - [select for diffs]
Modified Fri Oct 14 15:44:37 2005 UTC (20 years, 4 months ago) by kdaily
Diff to previous 660 , to selected 519

Add parts for the GayBerne LJ

Revision 660 - Directory Listing - [select for diffs]
Modified Wed Oct 12 21:00:11 2005 UTC (20 years, 4 months ago) by gezelter
Diff to previous 634 , to selected 519

Messing with 2-point water models

Revision 634 - Directory Listing - [select for diffs]
Modified Wed Sep 28 16:32:21 2005 UTC (20 years, 5 months ago) by gezelter
Diff to previous 593 , to selected 519

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 (20 years, 5 months ago) by chrisfen
Diff to previous 550 , to selected 519

re-added Cl- and Na+

Revision 550 - Directory Listing - [select for diffs]
Modified Sun May 29 21:14:38 2005 UTC (20 years, 9 months ago) by chrisfen
Diff to previous 535 , to selected 519

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 (20 years, 9 months ago) by chrisfen
Diff to previous 532 , to selected 519

just some tap changes

Revision 532 - Directory Listing - [select for diffs]
Modified Tue May 17 22:35:01 2005 UTC (20 years, 9 months ago) by chrisfen
Diff to previous 529 , to selected 519

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 (20 years, 9 months ago) by kdaily
Diff to previous 528 , to selected 519

added gb

Revision 528 - Directory Listing - [select for diffs]
Modified Fri May 13 20:36:15 2005 UTC (20 years, 9 months ago) by chrisfen
Diff to previous 527 , to selected 519

Better tap

Revision 527 - Directory Listing - [select for diffs]
Modified Thu May 12 19:43:48 2005 UTC (20 years, 9 months ago) by chrisfen
Diff to previous 524 , to selected 519

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, 10 months ago) by chrisfen
Diff to previous 523 , to selected 519

Changed SHED to TAP

Revision 523 - Directory Listing - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years, 10 months 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 - [selected]
Modified Fri Apr 29 16:26:27 2005 UTC (20 years, 10 months 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, 10 months ago) by chrisfen
Diff to previous 454 , to selected 519

fixing of the quadrupoles

Revision 454 - Directory Listing - [select for diffs]
Modified Fri Apr 8 14:41:40 2005 UTC (20 years, 11 months ago) by chrisfen
Diff to previous 446 , to selected 519

added Cl- and Na+

Revision 446 - Directory Listing - [select for diffs]
Modified Mon Mar 21 22:34:40 2005 UTC (20 years, 11 months ago) by chrisfen
Diff to previous 444 , to selected 519

Corrected changes to the forcefield files

Revision 444 - Directory Listing - [select for diffs]
Modified Mon Mar 21 20:50:44 2005 UTC (20 years, 11 months ago) by chrisfen
Diff to previous 433 , to selected 519

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, 11 months ago) by gezelter
Diff to previous 418 , to selected 519

quadrupoles for SSD models

Revision 418 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:14:07 2005 UTC (20 years, 11 months ago) by tim
Diff to previous 414 , to selected 519

minor change

Revision 414 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:58:33 2005 UTC (20 years, 11 months ago) by tim
Diff to previous 412 , to selected 519

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 (21 years ago) by tim
Diff to previous 399 , to selected 519

change the format of DUFF2

Revision 399 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:05:18 2005 UTC (21 years ago) by gezelter
Diff to previous 272 , to selected 519

Added a charge for Chlorine

Revision 272 - Directory Listing - [select for diffs]
Modified Mon Jan 17 22:17:20 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 268 , to selected 519

forget to set dipole for lipid head group

Revision 268 - Directory Listing - [select for diffs]
Modified Fri Jan 14 21:37:28 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 245 , to selected 519

sync Makefile

Revision 245 - Directory Listing - [select for diffs]
Modified Wed Jan 12 17:25:52 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 244 , to selected 519

remove some useless force fields

Revision 244 - Directory Listing - [select for diffs]
Modified Tue Jan 11 16:36:50 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 243 , to selected 519

adding new format of EAM force field

Revision 243 - Directory Listing - [select for diffs]
Modified Tue Jan 11 16:23:42 2005 UTC (21 years, 1 month ago) by tim
Diff to previous 241 , to selected 519

rename newDUFF.frc to DUFF2.frc

Revision 241 - Directory Listing - [select for diffs]
Modified Thu Dec 16 19:00:23 2004 UTC (21 years, 2 months ago) by tim
Diff to previous 237 , to selected 519

adding new EAM force field files

Revision 237 - Directory Listing - [select for diffs]
Modified Tue Dec 7 02:18:54 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 236 , to selected 519

merge WATER force field into DUFF

Revision 236 - Directory Listing - [select for diffs]
Modified Tue Dec 7 01:33:42 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 235 , to selected 519

change the force constant of bonds

Revision 235 - Directory Listing - [select for diffs]
Modified Sun Dec 5 22:21:55 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 234 , to selected 519

minor fix in DUFF

Revision 234 - Directory Listing - [select for diffs]
Modified Sun Dec 5 17:12:18 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 233 , to selected 519

minor fix in force field file

Revision 233 - Directory Listing - [select for diffs]
Modified Fri Dec 3 00:06:11 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 232 , to selected 519

minor fix

Revision 232 - Directory Listing - [select for diffs]
Modified Thu Dec 2 23:15:04 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 219 , to selected 519

new ForceField format

Revision 219 - Directory Listing - [select for diffs]
Modified Fri Nov 19 20:37:11 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 218 , to selected 519

new DUFF forcefield

Revision 218 - Directory Listing - [select for diffs]
Modified Thu Nov 18 21:42:31 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 58 , to selected 519

adding new format DUFF force field

Revision 58 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:26:10 2004 UTC (21 years, 4 months ago) by tim
Diff to previous 2 , to selected 519

add Makefile

Revision 2 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (21 years, 5 months ago) by gezelter
Diff to selected 519

Import of OOPSE v. 2.0

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