|
|
185141bd7d
|
use faster compression
|
2024-06-27 23:24:20 -04:00 |
|
|
|
2ad8119282
|
do not try to install plumed patches
|
2024-06-27 21:24:12 -04:00 |
|
|
|
1f7fb7b6f5
|
correct path (again)
|
2024-06-27 20:57:35 -04:00 |
|
|
|
e75e63c218
|
also package the plumed.exe executable with the plugin
|
2024-06-27 20:08:15 -04:00 |
|
|
|
5014e408c0
|
use correct path to (downloaded) plumed source tree
|
2024-06-27 20:07:52 -04:00 |
|
|
|
0e706d4dcc
|
add support for building the PLUMED package as plugin
|
2024-06-27 18:14:56 -04:00 |
|
|
|
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 |
|
|
|
b31071e18f
|
Removed exit status bug
|
2024-05-15 22:03:56 +01:00 |
|
|
|
c0daa9550a
|
Reformatting
|
2024-05-15 16:47:44 +01:00 |
|
|
|
17e0e785ab
|
Corrected typo
|
2024-05-15 16:45:52 +01:00 |
|
|
|
a7fe12cd7b
|
Reformatting
|
2024-05-15 16:07:59 +01:00 |
|
|
|
0e9c3fb768
|
Updated test script
|
2024-05-15 15:26:58 +01:00 |
|
|
|
1f52d1769d
|
update ML-UF3 example
|
2024-05-13 20:29:20 -04:00 |
|
|
|
9e755cd0af
|
Merge branch 'lammps:develop' into ml-uf3
|
2024-05-13 15:10:58 -04:00 |
|
|
|
74f29ba2f3
|
update example
|
2024-05-13 14:07:24 -04:00 |
|
