| commit | 23c57b58a9a6ad7d12aee776090139282a5eece9 | |
| author | Морозов Дмитрий <aracsmd@gmail.com> | |
| Wed, 3 Apr 2019 12:02:21 +0000 (3 15:02 +0300) | ||
| committer | David van der Spoel <spoel@xray.bmc.uu.se> | |
| Fri, 5 Apr 2019 08:15:28 +0000 (5 10:15 +0200) | ||
| tree | 3ec1ee5307fbd8b845d9e8034bbac24c9e838da0 | treesnapshot (tar.gz zip) |
| parent | ce79155bdab90901564b670d95518710abbc3ee3 | commitdiff |
Fixes bug in l-bfgs.
l-bfgs should now work excatly as it was in 4.6.5,
up-to some numerical precision in forces and energies.
Fixes #2641
Change-Id: I11a85a4241cc933fef94e2095dd8c3cbbb28b01b
l-bfgs should now work excatly as it was in 4.6.5,
up-to some numerical precision in forces and energies.
Fixes #2641
Change-Id: I11a85a4241cc933fef94e2095dd8c3cbbb28b01b