alexxy/gromacs-rcore.git
3 years ago- extra needed params master
Anatoly [Tue, 16 Mar 2021 13:45:43 +0000 (16:45 +0300)]
- extra needed params

3 years ago- fixed wrong input parameter
Anatoly [Tue, 16 Mar 2021 13:43:12 +0000 (16:43 +0300)]
- fixed wrong input parameter

3 years ago- updated to satisfy the patent attempt
Anatoly [Tue, 16 Mar 2021 13:01:17 +0000 (16:01 +0300)]
- updated to satisfy the patent attempt

6 years agocleaned up for diploma
Anatoly Titov [Tue, 6 Jun 2017 08:41:38 +0000 (11:41 +0300)]
cleaned up for diploma

7 years agoFix file output
Anatoly Titov [Mon, 6 Feb 2017 17:56:36 +0000 (20:56 +0300)]
Fix file output

Signed-off-by: Anatoly Titov <toluk@omrb.pnpi.spb.ru>
7 years agoadded a bit of description
Anatoly Titov [Mon, 6 Feb 2017 13:45:58 +0000 (16:45 +0300)]
added a bit of description

7 years agoadded selectable options
Anatoly Titov [Mon, 6 Feb 2017 13:43:33 +0000 (16:43 +0300)]
added selectable options

7 years agofixed +1 bug
Anatoly Titov [Thu, 22 Dec 2016 11:26:22 +0000 (14:26 +0300)]
fixed +1 bug

7 years agoAdd ndx writeout
Anatoly Titov [Thu, 22 Dec 2016 10:57:57 +0000 (13:57 +0300)]
Add ndx writeout

7 years agoRun uncrustify
Alexey Shvetsov [Wed, 30 Nov 2016 10:19:22 +0000 (13:19 +0300)]
Run uncrustify

Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
7 years agoDrop files that dont needed anymore
Alexey Shvetsov [Wed, 30 Nov 2016 10:17:29 +0000 (13:17 +0300)]
Drop files that dont needed anymore

Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
7 years agoAdd .gitignore
Alexey Shvetsov [Wed, 30 Nov 2016 10:13:27 +0000 (13:13 +0300)]
Add .gitignore

Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
7 years agoorganized and cleaned
Anatoly Titov [Wed, 30 Nov 2016 10:09:02 +0000 (13:09 +0300)]
organized and cleaned

7 years agochanged new fit exit & comparison
Anatoly Titov [Mon, 28 Nov 2016 10:28:05 +0000 (13:28 +0300)]
changed new fit exit & comparison

7 years agoold fit implemention
Anatoly Titov [Mon, 28 Nov 2016 10:02:39 +0000 (13:02 +0300)]
old fit implemention
works fine

7 years agooptimized fitting algo
Anatoly Titov [Wed, 16 Nov 2016 19:41:17 +0000 (22:41 +0300)]
optimized fitting algo

7 years agoadded two fittings algorythms comparison
Anatoly Titov [Tue, 8 Nov 2016 12:42:07 +0000 (15:42 +0300)]
added two fittings algorythms comparison

7 years agoadded missing header file
Anatoly Titov [Fri, 28 Oct 2016 11:17:59 +0000 (14:17 +0300)]
added missing header file

7 years agominor fixes
Anatoly Titov [Thu, 27 Oct 2016 16:27:57 +0000 (19:27 +0300)]
minor fixes

7 years agoupdated fitting algo
Anatoly Titov [Thu, 27 Oct 2016 16:24:24 +0000 (19:24 +0300)]
updated fitting algo

7 years agoa try to improve fitting speed
Anatoly Titov [Tue, 25 Oct 2016 14:28:38 +0000 (17:28 +0300)]
a try to improve fitting speed

7 years ago- added a bit of parallel
Anatoly Titov [Thu, 20 Oct 2016 11:17:54 +0000 (14:17 +0300)]
- added a bit of parallel
- dont think more parallel will do any good
it will slower things down

7 years agofitting upgrade
Anatoly Titov [Thu, 20 Oct 2016 10:59:07 +0000 (13:59 +0300)]
fitting upgrade

7 years agofinishing strike
Anatoly Titov [Wed, 12 Oct 2016 12:15:43 +0000 (15:15 +0300)]
finishing strike

7 years ago2 algos + fitting test
Anatoly Titov [Wed, 12 Oct 2016 11:03:44 +0000 (14:03 +0300)]
2 algos + fitting test

7 years agoadded new algorythm
Anatoly Titov [Thu, 6 Oct 2016 00:14:29 +0000 (03:14 +0300)]
added new algorythm

7 years agoFirst blood
Anatoly Titov [Thu, 15 Sep 2016 11:50:21 +0000 (14:50 +0300)]
First blood

Signed-off-by: Anatoly Titov <toluk@omrb.pnpi.spb.ru>
7 years agoInitial version
Alexey Shvetsov [Mon, 18 Jul 2016 18:54:52 +0000 (21:54 +0300)]
Initial version

Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>