[ViewVC] Log of: group/trunk/OOPSE-4/forceFields

Revision 2247 - Directory Listing - [select for diffs]
Modified Sun May 29 21:14:38 2005 UTC (20 years, 10 months ago) by chrisfen
Diff to previous 2232 , to selected 2216

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

Revision 2232 - Directory Listing - [select for diffs]
Modified Wed May 18 19:06:22 2005 UTC (20 years, 10 months ago) by chrisfen
Diff to previous 2229 , to selected 2216

just some tap changes

Revision 2229 - Directory Listing - [select for diffs]
Modified Tue May 17 22:35:01 2005 UTC (20 years, 10 months ago) by chrisfen
Diff to previous 2226 , to selected 2216

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

Revision 2226 - Directory Listing - [select for diffs]
Modified Tue May 17 02:09:25 2005 UTC (20 years, 10 months ago) by kdaily
Diff to previous 2225 , to selected 2216

added gb

Revision 2225 - Directory Listing - [select for diffs]
Modified Fri May 13 20:36:15 2005 UTC (20 years, 10 months ago) by chrisfen
Diff to previous 2224 , to selected 2216

Better tap

Revision 2224 - Directory Listing - [select for diffs]
Modified Thu May 12 19:43:48 2005 UTC (20 years, 10 months ago) by chrisfen
Diff to previous 2221 , to selected 2216

Couple of changes for TAP water.  Need to parametrize.

Revision 2221 - Directory Listing - [select for diffs]
Modified Thu May 5 15:06:04 2005 UTC (20 years, 10 months ago) by chrisfen
Diff to previous 2220 , to selected 2216

Changed SHED to TAP

Revision 2220 - Directory Listing - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years, 10 months ago) by chrisfen
Diff to previous 2216

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

Revision 2216 - Directory Listing - [selected]
Modified Fri Apr 29 16:26:27 2005 UTC (20 years, 11 months ago) by chrisfen
Diff to previous 2161

Added TIP4P-Ew

Revision 2161 - Directory Listing - [select for diffs]
Modified Mon Apr 11 20:18:53 2005 UTC (20 years, 11 months ago) by chrisfen
Diff to previous 2151 , to selected 2216

fixing of the quadrupoles

Revision 2151 - Directory Listing - [select for diffs]
Modified Fri Apr 8 14:41:40 2005 UTC (20 years, 11 months ago) by chrisfen
Diff to previous 2130 , to selected 2216

added Cl- and Na+

Revision 2130 - Directory Listing - [select for diffs]
Modified Mon Mar 21 22:34:40 2005 UTC (21 years ago) by chrisfen
Diff to previous 2128 , to selected 2216

Corrected changes to the forcefield files

Revision 2128 - Directory Listing - [select for diffs]
Modified Mon Mar 21 20:50:44 2005 UTC (21 years ago) by chrisfen
Diff to previous 2117 , to selected 2216

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

Revision 2117 - Directory Listing - [select for diffs]
Modified Fri Mar 11 15:52:59 2005 UTC (21 years ago) by gezelter
Diff to previous 2102 , to selected 2216

quadrupoles for SSD models

Revision 2102 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:14:07 2005 UTC (21 years ago) by tim
Diff to previous 2098 , to selected 2216

minor change

Revision 2098 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:58:33 2005 UTC (21 years ago) by tim
Diff to previous 2096 , to selected 2216

fix a bug in SectionParser (lineNo is not updated)

Revision 2096 - Directory Listing - [select for diffs]
Modified Wed Mar 9 17:28:11 2005 UTC (21 years ago) by tim
Diff to previous 2083 , to selected 2216

change the format of DUFF2

Revision 2083 - Directory Listing - [select for diffs]
Modified Tue Mar 8 21:05:18 2005 UTC (21 years ago) by gezelter
Diff to previous 1956 , to selected 2216

Added a charge for Chlorine

Revision 1956 - Directory Listing - [select for diffs]
Modified Mon Jan 17 22:17:20 2005 UTC (21 years, 2 months ago) by tim
Diff to previous 1952 , to selected 2216

forget to set dipole for lipid head group

Revision 1952 - Directory Listing - [select for diffs]
Modified Fri Jan 14 21:37:28 2005 UTC (21 years, 2 months ago) by tim
Diff to previous 1928 , to selected 2216

sync Makefile

Revision 1928 - Directory Listing - [select for diffs]
Modified Wed Jan 12 17:25:52 2005 UTC (21 years, 2 months ago) by tim
Diff to previous 1923 , to selected 2216

remove some useless force fields

Revision 1923 - Directory Listing - [select for diffs]
Modified Tue Jan 11 16:36:50 2005 UTC (21 years, 2 months ago) by tim
Diff to previous 1921 , to selected 2216

adding new format of EAM force field

Revision 1921 - Directory Listing - [select for diffs]
Modified Tue Jan 11 16:23:42 2005 UTC (21 years, 2 months ago) by tim
Diff to previous 1894 , to selected 2216

rename newDUFF.frc to DUFF2.frc

Revision 1894 - Directory Listing - [select for diffs]
Modified Thu Dec 16 19:00:23 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 1862 , to selected 2216

adding new EAM force field files

Revision 1862 - Directory Listing - [select for diffs]
Modified Tue Dec 7 02:18:54 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 1861 , to selected 2216

merge WATER force field into DUFF

Revision 1861 - Directory Listing - [select for diffs]
Modified Tue Dec 7 01:33:42 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 1855 , to selected 2216

change the force constant of bonds

Revision 1855 - Directory Listing - [select for diffs]
Modified Sun Dec 5 22:21:55 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 1853 , to selected 2216

minor fix in DUFF

Revision 1853 - Directory Listing - [select for diffs]
Modified Sun Dec 5 17:12:18 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 1839 , to selected 2216

minor fix in force field file

Revision 1839 - Directory Listing - [select for diffs]
Modified Fri Dec 3 00:06:11 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 1838 , to selected 2216

minor fix

Revision 1838 - Directory Listing - [select for diffs]
Modified Thu Dec 2 23:15:04 2004 UTC (21 years, 3 months ago) by tim
Diff to previous 1761 , to selected 2216

new ForceField format

Revision 1761 - Directory Listing - [select for diffs]
Modified Fri Nov 19 20:37:11 2004 UTC (21 years, 4 months ago) by tim
Diff to previous 1755 , to selected 2216

new DUFF forcefield

Revision 1755 - Directory Listing - [select for diffs]
Modified Thu Nov 18 21:42:31 2004 UTC (21 years, 4 months ago) by tim
Diff to previous 1550 , to selected 2216

adding new format DUFF force field

Revision 1550 - Directory Listing - [select for diffs]
Modified Mon Oct 11 14:26:10 2004 UTC (21 years, 5 months ago) by tim
Diff to previous 1490 , to selected 2216

add Makefile

Revision 1490 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (21 years, 6 months ago) by gezelter
Diff to selected 2216

Import of OOPSE v. 2.0

Convenience Links