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root/group/trunk/OOPSE-4/src/UseTheForce/doForces.F90
Revision 2286 - (view) (annotate) - [select for diffs]
Modified Wed Sep 7 22:08:39 2005 UTC (18 years, 10 months ago) by gezelter
File length: 42104 byte(s)
Diff to previous 2285 , to selected 2267 
bugfix on the grouptype finding algorithm
Revision 2285 - (view) (annotate) - [select for diffs]
Modified Wed Sep 7 20:46:46 2005 UTC (18 years, 10 months ago) by gezelter
File length: 42015 byte(s)
Diff to previous 2284 , to selected 2267 
adding c-side interface to change cutoff Policy
Revision 2284 - (view) (annotate) - [select for diffs]
Modified Wed Sep 7 19:18:54 2005 UTC (18 years, 10 months ago) by gezelter
File length: 41962 byte(s)
Diff to previous 2282 , to selected 2267 
Some bug hunting
Revision 2282 - (view) (annotate) - [select for diffs]
Modified Tue Sep 6 17:32:42 2005 UTC (18 years, 10 months ago) by chuckv
File length: 41959 byte(s)
Diff to previous 2281 , to selected 2267 
Added allocation for gtypeCutoffmap etc..
Revision 2281 - (view) (annotate) - [select for diffs]
Modified Thu Sep 1 22:56:20 2005 UTC (18 years, 10 months ago) by gezelter
File length: 41743 byte(s)
Diff to previous 2280 , to selected 2267 
initialized atomTypeMaxCutoff(i) to zero
Revision 2280 - (view) (annotate) - [select for diffs]
Modified Thu Sep 1 20:17:55 2005 UTC (18 years, 10 months ago) by gezelter
File length: 41725 byte(s)
Diff to previous 2279 , to selected 2267 
wrote createGtypeCutoffMap
Revision 2279 - (view) (annotate) - [select for diffs]
Modified Tue Aug 30 18:23:50 2005 UTC (18 years, 10 months ago) by chrisfen
File length: 39695 byte(s)
Diff to previous 2277 , to selected 2267 
made some changes for implementing the wolf potential
Revision 2277 - (view) (annotate) - [select for diffs]
Modified Fri Aug 26 21:30:41 2005 UTC (18 years, 10 months ago) by chrisfen
File length: 39324 byte(s)
Diff to previous 2275 , to selected 2267 
added some probably nonfunctional get*cut routines
Revision 2275 - (view) (annotate) - [select for diffs]
Modified Fri Aug 26 16:36:16 2005 UTC (18 years, 10 months ago) by gezelter
File length: 39197 byte(s)
Diff to previous 2274 , to selected 2267 
fixing some of the problems in the interactionHash and gtypeCutoff routines
Revision 2274 - (view) (annotate) - [select for diffs]
Modified Wed Aug 17 15:26:42 2005 UTC (18 years, 11 months ago) by gezelter
File length: 38984 byte(s)
Diff to previous 2273 , to selected 2267 
added fCutoffPolicy.h
Revision 2273 - (view) (annotate) - [select for diffs]
Modified Thu Aug 11 21:04:03 2005 UTC (18 years, 11 months ago) by gezelter
File length: 37525 byte(s)
Diff to previous 2270 , to selected 2267 
breakage in progress
Revision 2270 - (view) (annotate) - [select for diffs]
Modified Tue Aug 9 22:33:37 2005 UTC (18 years, 11 months ago) by gezelter
File length: 36281 byte(s)
Diff to previous 2269 , to selected 2267 
Breaky Breaky BREAKY breaky breaky
Revision 2269 - (view) (annotate) - [select for diffs]
Modified Tue Aug 9 19:40:56 2005 UTC (18 years, 11 months ago) by chuckv
File length: 42998 byte(s)
Diff to previous 2268 , to selected 2267 
In process of re-write for group based cutoff....
Revision 2268 - (view) (annotate) - [select for diffs]
Modified Fri Jul 29 19:38:27 2005 UTC (18 years, 11 months ago) by gezelter
File length: 42654 byte(s)
Diff to previous 2267 
fixes in progress
Revision 2267 - (view) (annotate) - [selected]
Modified Fri Jul 29 17:34:06 2005 UTC (18 years, 11 months ago) by tim
File length: 42096 byte(s)
Diff to previous 2266 
fix a bug which does not update me_i and me_j correctly
Revision 2266 - (view) (annotate) - [select for diffs]
Modified Thu Jul 28 22:12:45 2005 UTC (18 years, 11 months ago) by chuckv
File length: 42028 byte(s)
Diff to previous 2262 , to selected 2267 
Changed cutoffs... Segfaults nicely now...
Revision 2262 - (view) (annotate) - [select for diffs]
Modified Sun Jul 3 20:53:43 2005 UTC (19 years ago) by chuckv
File length: 41596 byte(s)
Diff to previous 2261 , to selected 2267 
Added subroutine to set cuttoff for Interaction map and function in simulation.F90 to determine if a particular atype is present in a simulation.
Revision 2261 - (view) (annotate) - [select for diffs]
Modified Tue Jun 28 13:58:45 2005 UTC (19 years ago) by gezelter
File length: 38404 byte(s)
Diff to previous 2260 , to selected 2267 
*** empty log message ***
Revision 2260 - (view) (annotate) - [select for diffs]
Modified Mon Jun 27 22:21:37 2005 UTC (19 years ago) by chuckv
File length: 40921 byte(s)
Diff to previous 2259 , to selected 2267 
More breaking and destruction of force code. Does not build at this point...
Revision 2259 - (view) (annotate) - [select for diffs]
Modified Mon Jun 27 21:01:36 2005 UTC (19 years ago) by gezelter
File length: 37429 byte(s)
Diff to previous 2250 , to selected 2267 
Breaky breaky!
Revision 2250 - (view) (annotate) - [select for diffs]
Modified Sun May 29 21:15:52 2005 UTC (19 years, 1 month ago) by chrisfen
File length: 38434 byte(s)
Diff to previous 2231 , to selected 2267 
Removed balance from doForces
Revision 2231 - (view) (annotate) - [select for diffs]
Modified Wed May 18 18:31:40 2005 UTC (19 years, 2 months ago) by chrisfen
File length: 38454 byte(s)
Diff to previous 2229 , to selected 2267 
Modifications to temper the dipolar strength in the first solvation shell for tap
Revision 2229 - (view) (annotate) - [select for diffs]
Modified Tue May 17 22:35:01 2005 UTC (19 years, 2 months ago) by chrisfen
File length: 38399 byte(s)
Diff to previous 2226 , to selected 2267 
Modifications to tap.  Also correcting changes to the previous merge that were not caught
Revision 2226 - (view) (annotate) - [select for diffs]
Modified Tue May 17 02:09:25 2005 UTC (19 years, 2 months ago) by kdaily
File length: 38040 byte(s)
Diff to previous 2220 , to selected 2267 
added gb
Revision 2220 - (view) (annotate) - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (19 years, 2 months ago) by chrisfen
File length: 38399 byte(s)
Diff to previous 2211 , to selected 2267 
OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...
Revision 2211 - (view) (annotate) - [select for diffs]
Modified Thu Apr 21 14:12:19 2005 UTC (19 years, 2 months ago) by chrisfen
File length: 37511 byte(s)
Diff to previous 2204 , to selected 2267 
Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...
Revision 2204 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (19 years, 3 months ago) by gezelter
File length: 37189 byte(s)
Diff to previous 2129 , to selected 2267 
xemacs has been drafted to perform our indentation services
Revision 2129 - (view) (annotate) - [select for diffs]
Modified Mon Mar 21 20:51:10 2005 UTC (19 years, 3 months ago) by chrisfen
File length: 38042 byte(s)
Diff to previous 2085 , to selected 2267 
Make sure electrostatic_module provides data for reaction_field
Revision 2085 - (view) (annotate) - [select for diffs]
Modified Tue Mar 8 21:05:46 2005 UTC (19 years, 4 months ago) by gezelter
File length: 38054 byte(s)
Diff to previous 1948 , to selected 2267 
electrostatic unification project
Revision 1948 - (view) (annotate) - [select for diffs]
Modified Fri Jan 14 20:31:16 2005 UTC (19 years, 6 months ago) by gezelter
File length: 37543 byte(s)
Diff to previous 1930 , to selected 2267 
separating modules and C/Fortran interface subroutines
Revision 1930 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (19 years, 6 months ago) by gezelter
File length: 38979 byte(s)
Diff to previous 1729 , to selected 2267 
merging new_design branch into OOPSE-2.0
Revision 1729 - (view) (annotate) - [select for diffs]
Modified Thu Nov 11 21:46:29 2004 UTC (19 years, 8 months ago) by chrisfen
File length: 36759 byte(s)
Diff to previous 1706 , to selected 2267 
Got rid of some write statements
Revision 1706 - (view) (annotate) - [select for diffs]
Modified Thu Nov 4 16:20:28 2004 UTC (19 years, 8 months ago) by gezelter
File length: 36757 byte(s)
Diff to previous 1688 , to selected 2267 
fixed useXXX in the entry_plug so that it only is
set if the atoms really are in the simulation
Revision 1688 - (view) (annotate) - [select for diffs]
Modified Fri Oct 29 22:28:12 2004 UTC (19 years, 8 months ago) by chrisfen
File length: 36653 byte(s)
Diff to previous 1650 , to selected 2267 
shapes rcut calculator added
Revision 1650 - (view) (annotate) - [select for diffs]
Modified Tue Oct 26 22:24:52 2004 UTC (19 years, 8 months ago) by gezelter
File length: 36661 byte(s)
Diff to previous 1636 , to selected 2267 
forcefield refactoring for shapes
Revision 1636 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 22:54:01 2004 UTC (19 years, 8 months ago) by chrisfen
File length: 36663 byte(s)
Diff to previous 1634 , to selected 2267 
fixey fixey the breakey breakey
Revision 1634 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 21:21:02 2004 UTC (19 years, 8 months ago) by gezelter
File length: 36650 byte(s)
Diff to previous 1628 , to selected 2267 
fixey fixey
Revision 1628 - (view) (annotate) - [select for diffs]
Modified Thu Oct 21 20:15:31 2004 UTC (19 years, 8 months ago) by gezelter
File length: 34256 byte(s)
Diff to previous 1610 , to selected 2267 
Breaky Breaky.   Fixey Fixey.
Revision 1610 - (view) (annotate) - [select for diffs]
Added Wed Oct 20 04:19:55 2004 UTC (19 years, 8 months ago) by gezelter
File length: 35282 byte(s)
Diff to selected 2267 
Fortran name cleanup continues

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