alexxy/gromacs-fitng.git
5 years agocleaned and added selectable methods
Anatoly Titov [Mon, 14 Jan 2019 09:36:45 +0000 (12:36 +0300)]
cleaned and added selectable methods

5 years agofixes
Anatoly Titov [Fri, 11 Jan 2019 10:04:30 +0000 (13:04 +0300)]
fixes

5 years agochanged the program to fit and save trajectory in 4 different modes
Anatoly Titov [Mon, 17 Dec 2018 17:32:30 +0000 (20:32 +0300)]
changed the program to fit and save trajectory in 4 different modes
"void TrajFitting" needs omp being turned on to speed it up

5 years agoadded fitting lib (kinda)
Anatoly Titov [Tue, 11 Sep 2018 09:46:10 +0000 (12:46 +0300)]
added fitting lib (kinda)

5 years agorolled back to prev version
Anatoly Titov [Thu, 19 Jul 2018 12:44:30 +0000 (15:44 +0300)]
rolled back to prev version
L1-L6 is wrong method, only one L required
added optimisations

5 years agoadded prototype save of the fitting results
Anatoly Titov [Thu, 5 Jul 2018 09:39:04 +0000 (12:39 +0300)]
added prototype save of the fitting results
removed extra frame from saving

5 years agoadded comparison with old tech
Anatoly Titov [Thu, 21 Jun 2018 11:30:18 +0000 (14:30 +0300)]
added comparison with old tech

5 years agofirst implementation of NewFit
Anatoly Titov [Wed, 20 Jun 2018 16:06:13 +0000 (19:06 +0300)]
first implementation of NewFit

6 years agoNew code dump
Alexey Shvetsov [Thu, 26 Apr 2018 11:07:56 +0000 (14:07 +0300)]
New code dump

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