|
|
2a99b9957d
|
simplify and shorten charmmfsw example. add reference logs.
|
2024-07-26 19:34:23 -04:00 |
|
|
|
590c7dcf8f
|
Merge branch 'lammps:develop' into spica-kk
|
2024-07-25 13:54:44 -04:00 |
|
|
|
3017630c01
|
Merge remote-tracking branch 'github/develop' into collected-small-fixes
|
2024-07-18 18:40:22 -04:00 |
|
|
|
1ed6e153b6
|
Merge pull request #4214 from jtclemm/rheo
New multiphase fluids package
|
2024-07-18 18:38:51 -04:00 |
|
|
|
3b853adaac
|
add lammps_extract_pair_dimension and lammps_extract_pair to library interface
|
2024-07-16 01:38:21 -04:00 |
|
|
|
a9a896c677
|
Small doc changes, renaming status variable
|
2024-07-15 17:19:51 -06:00 |
|
|
|
b1a4f08dd2
|
Update in.charmmfsw
|
2024-07-07 16:56:00 -04:00 |
|
|
|
06e8f8eab2
|
cleanup
|
2024-07-07 15:57:37 -04:00 |
|
|
|
9c37e0f0df
|
add charmmfsw example for kokkos gpu testing
|
2024-07-07 15:32:12 -04:00 |
|
|
|
62ac8d0ab3
|
fixes
|
2024-07-07 02:59:43 -04:00 |
|
|
|
17d736c0f9
|
Merge branch 'develop' into electrode
|
2024-07-03 15:17:43 -04:00 |
|
|
|
66552d80da
|
Merge branch 'develop' into rheo
|
2024-07-03 03:42:44 -04:00 |
|
|
|
49c84dbe1e
|
Bugfix virial with fix electrode
|
2024-07-01 10:05:28 +02:00 |
|
|
|
1326592f23
|
Proofing RHEO package
|
2024-06-28 17:07:23 -06:00 |
|
|
|
4bb71195aa
|
Allow NULL for eta in fix electrode
|
2024-06-26 12:08:45 +02:00 |
|
|
|
6ef8472481
|
Merge commit 'refs/pull/4168/head' of github.com:lammps/lammps into kokkospod
|
2024-06-24 23:52:39 -04:00 |
|
|
|
e195f1759f
|
Remove unused parameters, change command name, and update documentation and examples..
|
2024-06-24 22:32:35 -04:00 |
|
|
|
bf4aab68d3
|
update sdk -> spica
|
2024-06-24 17:45:53 -04:00 |
|
|
|
b219bb8de8
|
Merge conflicts
|
2024-06-24 14:09:33 -06:00 |
|
|
|
01a85639f9
|
Merge branch 'develop' into kokkospod
|
2024-06-23 03:56:39 -04:00 |
|
|
|
fc539b46ea
|
change all function ptrs and 2 example dump files
|
2024-06-21 09:23:04 -06:00 |
|
|
|
8ce284f125
|
Merge pull request #4145 from jrgissing/improve_type_label_support
Improve type label support
|
2024-06-20 16:30:22 -04:00 |
|
|
|
734fdf4a46
|
rename CG-DNA potential files
|
2024-06-20 14:33:26 -04:00 |
|
|
|
2dc7de417a
|
Merge branch 'develop' into improve_type_label_support
|
2024-06-20 08:56:02 -04:00 |
|
|
|
9c8c04a7b4
|
Merge branch 'develop' into cg-dna
|
2024-06-20 02:44:29 -04:00 |
|
|
|
629a9cbe3d
|
Merge pull request #4188 from Eddy-Barraud/dpd_charged
add pair styles dpd/coul/slater/long and dpd/coul/slater/long/gpu
|
2024-06-19 13:50:46 -04:00 |
|
|
|
4e0bf6137d
|
Merge pull request #4110 from uf3/ml-uf3
Implementation of pair_style uf3 and uf3/kk
|
2024-06-19 11:43:32 -04:00 |
|
|
|
6ada6b7bf2
|
update example for dpd/coul/slater/long
|
2024-06-19 11:00:21 -04:00 |
|
|
|
a4ac48addf
|
add example file and author contrib
|
2024-06-14 10:13:48 +02:00 |
|
|
|
11ef510a93
|
Merge branch 'lammps:develop' into improve_type_label_support
|
2024-06-13 19:26:42 -04:00 |
|
|
|
03251e823f
|
add terminal newline
|
2024-06-13 15:20:12 -04:00 |
|
|
|
fb23df7bf7
|
example input file
|
2024-06-13 17:35:45 +02:00 |
|
|
|
80e96d8c9b
|
Bugfix electrode piston example
|
2024-06-13 17:00:01 +02:00 |
|
|
|
610172b9dc
|
Merge branch 'lammps:develop' into cg-dna
|
2024-06-12 17:38:20 +01:00 |
|
|
|
8a94faee58
|
Updated i-pi example
|
2024-06-04 23:48:17 +02:00 |
|
|
|
fc0b155de9
|
Dam example, generalizing non-quintic kernels
|
2024-06-03 15:04:24 -06:00 |
|
|
|
09a57c01da
|
Corrected email address
|
2024-05-28 11:02:57 +01:00 |
|
|
|
75a325751e
|
implement support for lammps_map_atom() to plugin loader, Fortran module, swig
|
2024-05-25 07:01:28 -04:00 |
|
|
|
2fbfa623cd
|
fix fdotr and update the force-styles unittest
|
2024-05-22 23:56:16 -04:00 |
|
|
|
86abf4f680
|
Fix input file bug and update examples
|
2024-05-22 21:25:31 -04:00 |
|
|
|
938d117890
|
Updated tests to contain full stdout
|
2024-05-22 15:53:09 +01:00 |
|
|
|
749e259294
|
Moved test script
|
2024-05-22 14:15:48 +01:00 |
|
|
|
c2e4ad220f
|
Update Ta example
|
2024-05-22 00:37:47 -04:00 |
|
|
|
ac561095b1
|
Change int* to tagint*
|
2024-05-21 21:51:26 -04:00 |
|
|
|
d42b8ebb6c
|
make use of new dump_modify in examples
|
2024-05-21 19:40:28 -04:00 |
|
|
|
4104e73bcd
|
Delete InP training data
|
2024-05-21 09:45:29 -04:00 |
|
|
|
44ef81e900
|
documentation and examples
|
2024-05-21 09:39:36 -04:00 |
|
|
|
58653e0a87
|
Merge branch 'lammps:develop' into cg-dna
|
2024-05-20 15:10:52 +01:00 |
|
|
|
00cb38e823
|
real unit and potential file examples (#16)
|
2024-05-20 15:08:06 +01:00 |
|
|
|
8d25c510c1
|
Draft examples, patches, clarify interface reconstruct in RHEO
|
2024-05-19 11:22:52 -06:00 |
|
