Commit Graph

1840 Commits

Author SHA1 Message Date
7606529f03 Merge pull request #1302 from akohlmey/combined-user-fep-soft-updates
Combined USER-FEP related updates
2019-01-31 22:57:51 +01:00
a93d8dda3c add example input and logfiles for using fix qeq/shielded with pair style reax/c 2019-01-31 14:14:29 +01:00
ccdfde4978 Update example log file 2019-01-30 15:16:35 +01:00
08b1728a96 Commit JT 012919
- commit tuesday evening, second day imp.
- dev. fix_neb_spin
2019-01-29 13:05:03 -07:00
536e34974a Merge branch 'soft_class2_potentials' of https://github.com/evoyiatzis/lammps into combined-user-fep-soft-updates 2019-01-24 15:33:30 +01:00
60b137f241 Add examples for the USER-YAFF package 2019-01-22 10:09:10 +01:00
23ce00f366 Merge remote-tracking branch 'lammps/master' into kim-v2-update 2019-01-16 21:49:14 -06:00
1dbdadcf89 Add files via upload 2019-01-14 09:53:10 +01:00
7a4b6526de Create in.deletion 2019-01-14 09:52:28 +01:00
16b8c94aae Add files via upload 2019-01-14 09:49:37 +01:00
62b4c69360 Create in.insertion 2019-01-14 09:48:40 +01:00
261122d59c Update README 2019-01-14 09:43:13 +01:00
7a2d326103 Commit JT 010819
- commit before co
2019-01-08 09:19:49 -07:00
7323179de3 rename pair style lebedeva to lebedeva/z to be consistent with kolmolgorov/crespi/z 2019-01-03 17:30:16 -05:00
41ccf832bf update log files 2018-12-30 04:30:58 -05:00
6d5ab3dac1 Merge branch 'github-rebo-bugfix' of https://github.com/CF17/lammps into test-rebo
# Conflicts:
#	examples/airebo/log.23Jun17.airebo-m.g++.1
#	examples/airebo/log.23Jun17.airebo-m.g++.4
#	examples/airebo/log.23Jun17.airebo.g++.1
#	examples/airebo/log.23Jun17.airebo.g++.4
#	examples/airebo/log.27Nov18.airebo-m.g++.1
#	examples/airebo/log.27Nov18.airebo-m.g++.4
#	examples/airebo/log.27Nov18.airebo.g++.1
#	examples/airebo/log.27Nov18.airebo.g++.4
#	examples/airebo/log.29Jun18.airebo-m.g++.1
#	examples/airebo/log.29Jun18.airebo-m.g++.4
#	examples/airebo/log.29Jun18.airebo.g++.1
#	examples/airebo/log.29Jun18.airebo.g++.4
2018-12-30 03:44:38 -05:00
444dcca433 Merge pull request #1254 from akohlmey/remove-reax-meam
Remove REAX and MEAM packages
2018-12-29 13:06:07 -05:00
9355e7e5cc Merge pull request #1243 from athomps/snap-foundtest
Removed redundant element list from pair_coeff snap syntax
2018-12-29 13:04:47 -05:00
6c0b100a53 Merge branch 'master' into kim-v2-update 2018-12-16 15:56:33 -06:00
b068690e13 Update for kim-api beta.3 release 2018-12-12 16:21:54 -06:00
96c7f256f9 Merge branch 'snap-foundtest' of https://github.com/athomps/lammps into collected-post-stable-patches 2018-12-12 00:16:36 -05:00
02bdda0d05 Merge branch 'remove-reax-meam' into collected-post-stable-patches 2018-12-12 00:14:58 -05:00
be3c80829a Merge branch 'collected-small-changes' into collected-post-stable-patches 2018-12-12 00:14:41 -05:00
0a610cb482 Merge branch 'sllod' into collected-post-stable-patches 2018-12-12 00:14:33 -05:00
d15e4b1546 Merge branch 'master' into remove-reax-meam 2018-12-11 23:31:48 -05:00
bbe863f1ac add input for controlling a wall for a slab 2018-12-11 05:43:19 -05:00
eeaeab0832 add example for using fix controller with a moving wall to adjust pressure 2018-12-11 05:31:12 -05:00
0b5c273e2d update examples for removal of reax and meam 2018-12-10 15:16:34 -05:00
b6b813459b update example logfiles for USER-DRUDE package 2018-12-10 11:04:52 -05:00
998a512143 update log files for USER-UEF 2018-12-07 10:19:34 -05:00
e61b553bb3 update USER-MOFF log files 2018-12-07 05:54:02 -05:00
20eca799b1 update log files for USER-DIFFRACTION package 2018-12-07 05:50:39 -05:00
8ce60d8761 update USER-CGSDK and USER-COLVARS log files 2018-12-07 05:03:26 -05:00
685a8bfc62 update or add logs for USER-AWPMD, USER-BOCS, and USER-CGDNA 2018-12-07 04:32:46 -05:00
cd0924ca4c add log files for USER-AWPMD examples 2018-12-07 03:49:46 -05:00
18f7e96e8a update log files for USER-PLUMED examples 2018-12-06 19:07:36 -05:00
e01ba84fd2 update log files for USER-SCAFACOS 2018-12-06 19:01:20 -05:00
fa7e02ea71 Removed redundant element list from pair_coeff snap syntax 2018-12-03 20:28:01 -07:00
55077cea4d Merge branch 'lebedeva2' of https://github.com/zbych127/lammps into collected-post-stable-patches 2018-12-03 15:24:31 -05:00
01f47c4450 fixed the input for the example 2018-11-29 20:06:36 -05:00
4d06e11cfd creating clean fix npt/cauchy package and docs 2018-11-29 19:55:31 -05:00
5d2730f055 update log files for rigid, shear, snap, srd, streitz, threebody, vashsista, and voronoi examples 2018-11-29 18:22:18 -05:00
4b8c6d40e2 update log files for qeq and rdf-adf examples 2018-11-29 15:15:14 -05:00
46bf4b7efb update log files for peptide, peri, pour and python examples 2018-11-29 14:51:25 -05:00
cef4164460 update log files for min, msst, nb3b, nemd, and obstacle examples 2018-11-29 14:13:11 -05:00
074a9663cb update log files for melt and micelle example 2018-11-29 14:05:28 -05:00
d67dad9d67 update log files for meam examples 2018-11-29 12:47:15 -05:00
41e24f6e8b update log files for gcmc example 2018-11-29 12:35:07 -05:00
c763916f9e update log files for granregion hugoniostat and indent examples 2018-11-28 21:21:54 -05:00
48a408bb19 update log files for friction example 2018-11-28 18:42:48 -05:00