323248faef
Merge branch 'develop' into bond-harmonic-restrain
2023-03-07 15:49:42 -05:00
77ae215047
add versionadded tag
2023-03-03 17:16:12 -05:00
c9e300f76f
implementation of bond style harmonic/restrain /w docs
2023-03-03 16:54:47 -05:00
8b16301e5f
doc pages and sync qm vs qmmm fixes
2023-02-22 17:21:40 -07:00
1aa7a6c8b8
update from Aidan
2023-02-21 15:47:59 -05:00
095e00e3e9
Merge pull request #3649 from akohlmey/collected-small-fixes
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Collected small fixes
2023-02-20 15:23:20 -05:00
dfc9da8020
add link_check target calling linkchecker to manual build makefile
2023-02-19 21:12:22 -05:00
9220ea5695
fix a bunch more broken links
2023-02-19 20:48:54 -05:00
7149143df8
fix outdated or broken URLs and typos in URLs
2023-02-19 16:11:22 -05:00
329dbd0485
Updating doc/examples, moving forward comm to pre_force
2023-02-15 11:00:19 -07:00
4dac68ef72
Merge pull request #3644 from ndtrung81/gpu-gauss-bugfix
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Fixed issues with gauss/gpu in bonded systems
2023-02-13 16:07:01 -05:00
7fa298f2ef
consistently support special_bonds settings in pair style gauss
2023-02-10 04:47:19 -05:00
58a90d613b
update manual for revised release and branch names
2023-02-10 00:50:36 -05:00
b635465154
Merge pull request #3633 from akohlmey/next_patch_release
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Update versions strings for the next patch release
2023-02-09 00:16:26 -05:00
324a5aa727
Merge remote-tracking branch 'github/develop' into collected-fixes
2023-02-07 10:38:40 -05:00
bde2867251
Make Kokkos configuration compatible with RTX40x0 generation consumer GPUs
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@stanmoore1 is this the correct way add this?
2023-02-07 08:40:04 -05:00
b9981ac51e
update list of KOKKOS supported architectures for Kokkos 3.7.1
2023-02-07 07:18:40 -05:00
b501d4226a
Merge branch 'develop' of github.com:srtee/lammps into collected-fixes
2023-02-06 14:45:52 -05:00
9c2fe48a7b
Update Howto_mdi.rst
2023-02-06 10:55:18 -07:00
cd093d94b9
add versionadded tag to "maxtry" option
2023-02-06 11:12:02 -05:00
fb5c0a4c87
Correct typos and clarify fix_controller.rst
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Fixes some typos and adds math expression c_0 for the initial control variable value; removes the "E-hat" term from equations (which doesn't appear elsewhere in the support doc or the source code)
2023-02-06 15:34:58 +10:00
3955bc8bfe
revise a chunk of Howto pages with the help of languagetool.org
2023-02-05 18:09:36 -05:00
d1550bf9f6
starting grammar, punctuation, and spelling review for developer info sections
2023-02-04 22:00:35 -05:00
a0a7e76cc3
Merge pull request #3623 from ndtrung81/kokkos-dipole-lj-expand
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Adding the kokkos variants for lj/cut/dipole/cut and lj/expand/coul/long
2023-02-03 13:52:47 -05:00
9520be6aae
update versions strings for the next feature release
2023-02-03 11:39:50 -05:00
8994633dab
fix broken link
2023-02-02 23:25:57 -05:00
12079c32de
Merge branch 'develop' into fix-mdi-qmmm
2023-02-02 13:10:55 -07:00
5cf1bbff7c
Merge branch 'develop'
2023-02-02 15:07:05 -05:00
180dcf4459
add missing index entries
2023-02-02 15:06:22 -05:00
dd0398b7f2
Merge branch 'develop' into kokkos-dipole-lj-expand
2023-02-02 14:49:53 -05:00
9b7e4478b3
Update docs
2023-02-02 12:00:42 -07:00
ffdca466e9
Merge branch 'develop' of https://github.com/lammps/lammps into kokkos-dipole-lj-expand
2023-02-02 11:10:56 -07:00
6ed526c95b
Merge branch 'develop'
2023-02-01 03:42:34 -05:00
957f98ddb7
Merge branch 'develop' into collected-small-fixes
2023-01-31 20:42:05 -05:00
83b578f604
BUGFIX: update ML_PACE library version (that fix compilation issue with nvcc)
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extra update doc/src/pair_pace.rst
2023-01-31 21:08:32 +01:00
41e834d27f
pair style gauss *does* support pair_modify shift
2023-01-30 06:12:45 -05:00
370c701f89
whitespace
2023-01-29 13:42:36 -05:00
f0578bbf63
Merge branch 'develop'
2023-01-29 13:27:54 -05:00
9c46f4dd39
Updated doc pages
2023-01-28 11:22:45 -06:00
3bcb59b284
Minor typo in docs
2023-01-26 18:24:39 -07:00
866cf8ae60
Merge branch 'develop' of https://github.com/lammps/lammps into msmeam-adr
2023-01-26 15:10:30 -07:00
b48d483fd6
Merge branch 'develop' into msmeam-adr
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# Conflicts:
# src/MEAM/pair_meam.cpp
2023-01-26 15:46:34 -05:00
b7f2c3feda
convert "ms" pair style flag for MEAM into meam/ms pair style
2023-01-26 15:23:31 -05:00
210ec9d164
reformat
2023-01-26 11:59:20 -05:00
b905f6a239
Merge branch 'develop' into yotamfe/develop
2023-01-26 11:47:32 -05:00
83fc0f16f5
rephrasings for output information
2023-01-26 17:10:45 +02:00
fca553d1c2
document the Fortran module calls
2023-01-26 15:58:00 +02:00
15316f8e5e
add documentation for the vector values fix_pimd returns, and the rest of the restart, modify etc. section
2023-01-26 15:57:47 +02:00
e4b2fd318f
Update Library_scatter.rst
2023-01-26 11:00:26 +02:00
83f6b6aa40
Merge pull request #3603 from jrgissing/reaxff-species-delete-rate
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reaxff/species delete rate limit
2023-01-25 13:25:34 -05:00
