87a9695c64
Merge remote-tracking branch 'github/develop' into collected-small-changes
2023-03-01 20:37:50 -05:00
d44ba14030
Merge pull request #3657 from akohlmey/custom-wall-fixes
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Add fix wall/table and fix wall/lepton for customizable wall fixes
2023-03-01 20:16:56 -05:00
2507e414d9
fix broken link
2023-02-28 18:11:05 -05:00
a98c497dbb
redesign the Howto pages on water models and add inputs and molecule files
2023-02-28 18:10:45 -05:00
202a22ea68
Merge branch 'develop' into collected-small-changes
2023-02-28 11:27:26 -05:00
02190b82c2
link pair style hybrid/scaled to fix adapt and fix alchemy
2023-02-28 11:22:28 -05:00
a6eac92cd5
update list of pair styles that support fix adapt
2023-02-28 11:20:33 -05:00
81a2d47c16
print warning about not checking lambda variable
2023-02-27 16:50:17 -05:00
446913f2f3
make ramp more flexible by defining lambda through a variable
2023-02-27 16:01:17 -05:00
83f936f31b
Update fix_alchemy.rst
2023-02-27 11:00:11 -07:00
8368b78f23
document the change in mass handling
2023-02-26 13:52:31 -05:00
c9b22ba04f
mention pair style hybrid/scaled as alternative
2023-02-25 17:17:41 -05:00
bb17541c30
add simple example for transforming a pure metal into an alloy
2023-02-25 16:01:26 -05:00
2bad63c68e
add documentation
2023-02-25 14:09:14 -05:00
828b70fbfa
silence warning
2023-02-25 13:58:58 -05:00
6ae177f37e
rename fix pimd to fix pimd/nvt (with backward compatibility)
2023-02-23 12:26:42 -05:00
b314f73ef4
update .gitignore and fix typo in doc makefile
2023-02-23 00:40:07 -05:00
ec87c71064
add documentation for fix wall/lepton, fix wall/table and WallTabulate()
2023-02-23 00:35:25 -05:00
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fix outdated or broken URLs and typos in URLs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
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
26333c28ab
fix grammar and spelling issues
2023-02-10 11:22:13 -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
c37c752d36
update markdown files for revised branch structure and development workflow
2023-02-09 21:21:51 -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
0ae72ce36d
update for recent doc updates
2023-02-08 16:44:32 -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
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
