|
|
2562d3afc4
|
Updating bpm pour example with break no
|
2024-12-09 11:11:06 -07:00 |
|
|
|
5928389c5e
|
Merge pull request #4312 from navlalli/qtpie
Add fix qtpie/reaxff
|
2024-11-13 07:42:07 -05:00 |
|
|
|
2d2bc029a4
|
Merge branch 'develop' into qtpie
|
2024-11-12 11:37:40 -08:00 |
|
|
|
f84b9f350e
|
Merge branch 'develop' of https://github.com/lammps/lammps into alphataubio-kokkos-fixes
|
2024-11-08 14:53:37 -08:00 |
|
|
|
34113226ae
|
Updating pair tracker example
|
2024-11-04 13:57:54 -07:00 |
|
|
|
c057b36c15
|
Merge branch 'develop' into alphataubio-kokkos-fixes
|
2024-10-30 21:50:36 -04:00 |
|
|
|
6d634dc646
|
Merge pull request #4359 from jtclemm/BPM
Adding new force options to BPM package
|
2024-10-29 21:31:03 -04:00 |
|
|
|
e2214fc4d6
|
Merge branch 'develop' into regression-test-update
|
2024-10-22 21:10:22 -04:00 |
|
|
|
81f71716ba
|
Merge branch 'develop' into BPM
|
2024-10-22 20:59:12 -04:00 |
|
|
|
58ff8d3212
|
Suppressing dump output in bpm examples
|
2024-10-21 15:18:17 -06:00 |
|
|
|
f8a8783044
|
Merge branch 'develop' into alphataubio-kokkos-fixes
|
2024-10-12 20:09:59 -04:00 |
|
|
|
63a26b1770
|
add the missing log file using --gen-ref
|
2024-10-08 12:10:48 -05:00 |
|
|
|
a53840014c
|
Update in.wall.sphere
|
2024-10-07 18:17:14 -04:00 |
|
|
|
941b3dd566
|
add two examples for regression testing
|
2024-10-07 17:15:09 -04:00 |
|
|
|
8c76600d47
|
anticipate change to C++ standard
|
2024-10-06 15:06:05 -04:00 |
|
|
|
01468e2720
|
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
|
2024-10-04 01:41:57 -04:00 |
|
|
|
6d8529f1f7
|
Merge branch 'develop' into collected-small-changes
|
2024-10-04 01:24:30 -04:00 |
|
|
|
d1a1a57bd9
|
Merge pull request #4339 from jtclemm/small-patches
Fixing bugs in GRANULAR and mistakes in RHEO documentation
|
2024-10-03 22:01:21 -04:00 |
|
|
|
4ee07bcdaf
|
Recreate dump file for MS-MEAM due to changes to the code.
|
2024-10-03 11:54:26 -06:00 |
|
|
|
a1bb42bd6e
|
Merge remote-tracking branch 'github/develop' into collected-small-changes
|
2024-10-02 19:29:35 -04:00 |
|
|
|
8a7572fd5a
|
Merge pull request #4181 from gplummer317/ctip
Charge Transfer Interatomic Potential (CTIP) pair style and qeq fix
|
2024-10-02 19:26:09 -04:00 |
|
|
|
53914162a7
|
rename log file to match expected naming scheme
|
2024-10-01 00:24:40 -04:00 |
|
|
|
2749e091c7
|
update nemd example so it is reproducible
|
2024-09-30 22:10:00 -04:00 |
|
|
|
ba071fe55a
|
Merge branch 'develop' into small-patches
|
2024-09-27 15:30:31 -06:00 |
|
|
|
65cacc7ef4
|
recreate log files for MS-MEAM due to changes to the code.
|
2024-09-27 14:29:05 -04:00 |
|
|
|
2c2eb31362
|
Updating example logs affected by fix pour
|
2024-09-25 15:39:44 -06:00 |
|
|
|
12b67e0fd1
|
update ASPHERE/line example to follow conventions and avoid crashes.
|
2024-09-21 17:48:17 -04:00 |
|
|
|
3902215018
|
add lammps_expand to plugin wrapper
|
2024-09-20 03:56:19 -04:00 |
|
|
|
96c776c51f
|
Add log files for qtpie/reaxff examples
|
2024-09-13 18:08:14 +01:00 |
|
|
|
58272bca00
|
move and update ctip example
|
2024-09-12 00:17:21 -04:00 |
|
|
|
5a12c762f3
|
Merge branch 'develop' into ctip
|
2024-09-11 23:36:16 -04:00 |
|
|
|
94e3351e4f
|
Merge pull request #4308 from lammps/quick-regression
Add a quick and full regression test as GitHub Actions
|
2024-09-10 23:28:49 -04:00 |
|
|
|
6488fd2a48
|
reorganize example, potentials, logfiles
|
2024-09-10 21:14:52 -04:00 |
|
|
|
25f33e8721
|
Add water examples featuring fix qtpie/reaxff
|
2024-09-10 16:20:51 +01:00 |
|
|
|
48689d1925
|
Merge branch 'develop' into ctip
|
2024-09-09 20:46:09 -04:00 |
|
|
|
95cb7d7dd8
|
Merge branch 'develop' into quick-regression
|
2024-09-05 17:23:52 -04:00 |
|
|
|
e240619b94
|
update pace plugin loader to include the two additional styles added
|
2024-09-03 22:30:32 -04:00 |
|
|
|
591d20b00d
|
Merge branch 'develop' into quick-regression
|
2024-08-31 23:16:27 -04:00 |
|
|
|
9d9e591b54
|
first try at implementing lammps_extract_atom_size()
|
2024-08-30 22:50:42 -04:00 |
|
|
|
af5f437aeb
|
update list of dependencies
|
2024-08-28 15:30:44 -04:00 |
|
|
|
acfed12684
|
avoid recursion. there is only one executable.
|
2024-08-28 15:12:46 -04:00 |
|
|
|
4e8c1f3284
|
Merge branch 'develop' into plumed-plugin
|
2024-08-28 14:28:05 -04:00 |
|
|
|
f5ffb28a1f
|
use the log file with 1 proc in serial runs, removed examples/bpm/impact/brokenDump
|
2024-08-28 12:57:58 -05:00 |
|
|
|
98b4771ed6
|
sanity check
|
2024-08-27 17:18:01 -04:00 |
|
|
|
49d664583a
|
correct define
|
2024-08-27 17:00:42 -04:00 |
|
|
|
dc66929e65
|
Merge pull request #4293 from jrgissing/bond_react_fixes_summ24
Bond/react: fixes and error checking
|
2024-08-26 10:45:32 -04:00 |
|
|
|
d1f141c962
|
Merge branch 'develop' into plumed-plugin
|
2024-08-26 04:17:04 -04:00 |
|
|
|
e94d32e7d3
|
clean up tiny_nylon example
|
2024-08-25 14:19:17 -04:00 |
|
|
|
b4eb027851
|
Merge pull request #4289 from lammps/grid-debug
Fix 2 bugs with distributed grids
|
2024-08-21 17:21:35 -04:00 |
|
|
|
92abea3372
|
Merge pull request #4273 from jtclemm/small-patches
Few small patches to BPM, RHEO, and GRANULAR packages
|
2024-08-21 16:33:28 -04:00 |
|
