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Anatoly [Fri, 17 Jul 2020 13:18:48 +0000 (16:18 +0300)]
- minor tests fixes
Anatoly [Fri, 17 Jul 2020 08:35:58 +0000 (11:35 +0300)]
added gtest sources
Anatoly [Thu, 16 Jul 2020 12:41:33 +0000 (15:41 +0300)]
- after a while "розгалужувачил" code into 2 extra headers
Anatoly [Thu, 16 Jul 2020 08:31:24 +0000 (11:31 +0300)]
- sorted input commands
- added launch template into description
Anatoly [Wed, 15 Jul 2020 08:40:08 +0000 (11:40 +0300)]
Updated the code to work with the latest gromacs (with Alexios changes)
Anatoly [Fri, 31 Jan 2020 08:08:48 +0000 (11:08 +0300)]
- minor updates
removed unnecessary if clause
- added explanatory comments into code
Anatoly [Thu, 30 Jan 2020 13:42:13 +0000 (16:42 +0300)]
domain data class implementation
only un-avoidable warnings are left
Anatoly [Wed, 29 Jan 2020 15:23:53 +0000 (18:23 +0300)]
class debugging
Anatoly [Tue, 28 Jan 2020 15:49:32 +0000 (18:49 +0300)]
implemented domainType class
Anatoly [Wed, 20 Nov 2019 14:00:18 +0000 (17:00 +0300)]
- minor fixes
Anatoly [Mon, 18 Nov 2019 11:04:00 +0000 (14:04 +0300)]
fixed memory overcommitment
dynamic domain creation
Anatoly [Tue, 29 Oct 2019 14:47:39 +0000 (17:47 +0300)]
still need to find THE bug
probability is high its in the final part
Anatoly [Tue, 29 Oct 2019 11:52:24 +0000 (14:52 +0300)]
pre rebuild state
Anatoly Titov [Fri, 11 Jan 2019 10:03:31 +0000 (13:03 +0300)]
reworked on RVec
+ added fit func inside
Anatoly Titov [Fri, 11 Jan 2019 10:00:14 +0000 (13:00 +0300)]
reworked on RVec
Anatoly Titov [Wed, 19 Dec 2018 10:59:13 +0000 (13:59 +0300)]
minor fixes
Anatoly Titov [Tue, 6 Jun 2017 08:37:10 +0000 (11:37 +0300)]
cleaned up for diploma
Anatoly Titov [Wed, 5 Apr 2017 20:32:23 +0000 (23:32 +0300)]
added extra comments while finding domains
Anatoly Titov [Wed, 5 Apr 2017 13:24:14 +0000 (16:24 +0300)]
added new domain searching algo (<=)
fixed a few constants
Anatoly Titov [Mon, 27 Feb 2017 12:18:11 +0000 (15:18 +0300)]
changed the way frames are analyzed
Anatoly Titov [Mon, 20 Feb 2017 23:02:59 +0000 (02:02 +0300)]
- changed the way data stored while work in progress
- added extra comments while work in progress
Anatoly Titov [Mon, 13 Feb 2017 12:03:38 +0000 (15:03 +0300)]
changed saving method
Anatoly Titov [Mon, 6 Feb 2017 13:54:40 +0000 (16:54 +0300)]
added selectable constants
Anatoly Titov [Thu, 22 Dec 2016 12:48:21 +0000 (15:48 +0300)]
fixes
Alexey Shvetsov [Thu, 22 Dec 2016 12:13:36 +0000 (15:13 +0300)]
OpenMP enable
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Alexey Shvetsov [Thu, 22 Dec 2016 12:04:33 +0000 (15:04 +0300)]
Add openmp
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Anatoly Titov [Thu, 22 Dec 2016 11:56:22 +0000 (14:56 +0300)]
more fixes
Anatoly Titov [Thu, 22 Dec 2016 11:44:35 +0000 (14:44 +0300)]
more fixes
Anatoly Titov [Thu, 22 Dec 2016 11:39:53 +0000 (14:39 +0300)]
fixed local misspellings
Anatoly Titov [Thu, 22 Dec 2016 11:38:52 +0000 (14:38 +0300)]
remade writing output file function
Alexey Shvetsov [Thu, 22 Dec 2016 10:49:03 +0000 (13:49 +0300)]
Initial version of gmx domains imported from domain branch
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
biod.pnpi.spb.ru / alexxy / gromacs-domains.git / log