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root/group/trunk/OOPSE-2.0/src/UseTheForce/DarkSide/electrostatic.F90
Revision 2405 - (view) (annotate) - [select for diffs]
Modified Tue Nov 1 19:24:57 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 58156 byte(s)
Diff to previous 2402 
removed some testing code...
Revision 2402 - (view) (annotate) - [select for diffs]
Modified Tue Nov 1 19:09:30 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 58341 byte(s)
Diff to previous 2399 
still fixing up wolf...
Revision 2399 - (view) (annotate) - [select for diffs]
Modified Wed Oct 26 23:31:40 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 57031 byte(s)
Diff to previous 2395 
reaction field looks to be working now - for charges and dipoles alike
Revision 2395 - (view) (annotate) - [select for diffs]
Modified Mon Oct 24 14:06:36 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 52352 byte(s)
Diff to previous 2394 
added charge-dipole reaction field - don't know if it works...
Revision 2394 - (view) (annotate) - [select for diffs]
Modified Sun Oct 23 21:08:08 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 50256 byte(s)
Diff to previous 2390 
streamlined reaction field for dipoles (now a good bit faster) and added reaction field for charges - still need to do charge-dipole RF
Revision 2390 - (view) (annotate) - [select for diffs]
Modified Wed Oct 19 19:24:40 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 53027 byte(s)
Diff to previous 2381 
Still had some globals toUpper problems - these changes should fix those...
Revision 2381 - (view) (annotate) - [select for diffs]
Modified Tue Oct 18 15:01:42 2005 UTC (19 years, 6 months ago) by chrisfen
File length: 53872 byte(s)
Diff to previous 2355 
merged reaction field with electrostatics.F90
Revision 2355 - (view) (annotate) - [select for diffs]
Modified Wed Oct 12 18:59:16 2005 UTC (19 years, 6 months ago) by chuckv
File length: 46723 byte(s)
Diff to previous 2343 
Breaky Breaky: Add Support for seperating potential contributions.
Revision 2343 - (view) (annotate) - [select for diffs]
Modified Tue Oct 4 19:33:22 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 46599 byte(s)
Diff to previous 2339 
maybe some work on wolf
Revision 2339 - (view) (annotate) - [select for diffs]
Modified Wed Sep 28 18:47:17 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 46573 byte(s)
Diff to previous 2331 
working on wolf
Revision 2331 - (view) (annotate) - [select for diffs]
Modified Mon Sep 26 18:38:02 2005 UTC (19 years, 7 months ago) by chuckv
File length: 45852 byte(s)
Diff to previous 2330 
Added define for ifc 7 so derfc is external. Other compilers should treat erfc as intrinsic.
Revision 2330 - (view) (annotate) - [select for diffs]
Modified Mon Sep 26 17:07:54 2005 UTC (19 years, 7 months ago) by chuckv
File length: 45810 byte(s)
Diff to previous 2325 
Changed erfc to derfc and declared it to be external to fix issure with ifc7. Hopefully this will not cause a problem with other compilers where derfc is an intrinsic function.
Revision 2325 - (view) (annotate) - [select for diffs]
Modified Sat Sep 24 17:39:36 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 45753 byte(s)
Diff to previous 2310 
slowdown fixed - now roughly the same speed as the old version when using dipoles

energies are now exactly the same between the old version of OOPSE and this version
Revision 2310 - (view) (annotate) - [select for diffs]
Modified Mon Sep 19 23:21:46 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 45077 byte(s)
Diff to previous 2309 
Fixed bugs in reaction field, now it appears as though it really is working...
Revision 2309 - (view) (annotate) - [select for diffs]
Modified Sun Sep 18 20:45:38 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 44997 byte(s)
Diff to previous 2306 
reaction field seems to work now, still need to do some testing...
Revision 2306 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 20:37:05 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 44968 byte(s)
Diff to previous 2302 
fixing some summation method issues
Revision 2302 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 16:07:39 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 44728 byte(s)
Diff to previous 2301 
some fixes but even more breaking (cutting out the old way to do reaction field)
Revision 2301 - (view) (annotate) - [select for diffs]
Modified Thu Sep 15 22:05:21 2005 UTC (19 years, 7 months ago) by gezelter
File length: 44239 byte(s)
Diff to previous 2296 
Working on adding WOLF
Revision 2296 - (view) (annotate) - [select for diffs]
Modified Thu Sep 15 00:13:56 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 41996 byte(s)
Diff to previous 2279 
added in the undamped wolf, in the process of doing the damped wolf
Revision 2279 - (view) (annotate) - [select for diffs]
Modified Tue Aug 30 18:23:50 2005 UTC (19 years, 8 months ago) by chrisfen
File length: 30885 byte(s)
Diff to previous 2251 
made some changes for implementing the wolf potential
Revision 2251 - (view) (annotate) - [select for diffs]
Modified Sun May 29 21:16:25 2005 UTC (19 years, 11 months ago) by chrisfen
File length: 30578 byte(s)
Diff to previous 2231 
Removed balance from the Darkside (files)
Revision 2231 - (view) (annotate) - [select for diffs]
Modified Wed May 18 18:31:40 2005 UTC (19 years, 11 months ago) by chrisfen
File length: 30821 byte(s)
Diff to previous 2229 
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, 11 months ago) by chrisfen
File length: 30603 byte(s)
Diff to previous 2204 
Modifications to tap.  Also correcting changes to the previous merge that were not caught
Revision 2204 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 28880 byte(s)
Diff to previous 2189 
xemacs has been drafted to perform our indentation services
Revision 2189 - (view) (annotate) - [select for diffs]
Modified Wed Apr 13 20:36:45 2005 UTC (20 years ago) by chuckv
File length: 29189 byte(s)
Diff to previous 2162 
Added destroy methods for Fortran modules.
Revision 2162 - (view) (annotate) - [select for diffs]
Modified Mon Apr 11 20:19:22 2005 UTC (20 years ago) by chrisfen
File length: 28995 byte(s)
Diff to previous 2156 
fixing of the quadrupoles.  look!  it's divide by 3 like stone says!
Revision 2156 - (view) (annotate) - [select for diffs]
Modified Fri Apr 8 22:13:41 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 29095 byte(s)
Diff to previous 2153 
quadrupole interactions should be working with a remaining question of interaction magnitude
Revision 2153 - (view) (annotate) - [select for diffs]
Modified Fri Apr 8 14:43:06 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 29095 byte(s)
Diff to previous 2129 
Altered signs to fix charge-dipole interactions
Revision 2129 - (view) (annotate) - [select for diffs]
Modified Mon Mar 21 20:51:10 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 29093 byte(s)
Diff to previous 2127 
Make sure electrostatic_module provides data for reaction_field
Revision 2127 - (view) (annotate) - [select for diffs]
Modified Mon Mar 21 19:23:27 2005 UTC (20 years, 1 month ago) by gezelter
File length: 29075 byte(s)
Diff to previous 2124 
constant back to correct value
Revision 2124 - (view) (annotate) - [select for diffs]
Modified Tue Mar 15 14:20:50 2005 UTC (20 years, 1 month ago) by gezelter
File length: 29073 byte(s)
Diff to previous 2123 
fixed three typos
Revision 2123 - (view) (annotate) - [select for diffs]
Modified Sun Mar 13 07:39:01 2005 UTC (20 years, 1 month ago) by gezelter
File length: 29073 byte(s)
Diff to previous 2118 
first run at charge-quadrupole interactions
Revision 2118 - (view) (annotate) - [select for diffs]
Modified Fri Mar 11 15:53:18 2005 UTC (20 years, 1 month ago) by gezelter
File length: 20533 byte(s)
Diff to previous 2105 
settled on a unit for quadrupoles
Revision 2105 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 17:54:58 2005 UTC (20 years, 1 month ago) by gezelter
File length: 19979 byte(s)
Diff to previous 2095 
added fortran-side support for split dipoles
Revision 2095 - (view) (annotate) - [select for diffs]
Added Wed Mar 9 15:44:59 2005 UTC (20 years, 2 months ago) by gezelter
File length: 18435 byte(s) 
new electrostatic module

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