45c2d1f45d
fix typo and improve wording
2022-11-27 23:41:10 -05:00
9958c9dfd7
update documentation
2022-11-27 23:46:00 +00:00
ee5b021c57
Update MLPOD's documentation and changed example folder name from pod to mlpod
2022-11-27 11:14:21 -05:00
76dbc498a0
doc tweaks
2022-11-25 15:03:03 -07:00
878b8a8a13
better argument checking with threebody off, disallow invalid uses
...
this now reads the potential file only on the first pair_coeff command
and also creates the element to atom type map then. all following
pair_coeff commands must be consistent. LAMMPS will stop if not.
we also need to explicity assign setflag and must not have it reset
when creating the mappings.
2022-11-25 15:37:06 -05:00
170c312a0c
Fixed oversight in set_fix_external_callback and wrote its documentation
2022-11-24 21:07:46 -06:00
e36a360891
error out when reduced units are used with fix ipi or fix pimd
2022-11-24 13:17:11 -05:00
4adf3708d4
add strip_style_suffix utility function
2022-11-24 11:50:21 -05:00
242cc5f993
error out when reduced units are used with fix ipi or fix pimd
2022-11-24 10:14:09 -05:00
4ba604fd37
Merge branch 'collected-small-changes' into reset-command
2022-11-23 13:38:40 -05:00
32ce17c9ad
fix typo
2022-11-23 12:55:51 -05:00
dd8a14789b
update docs for new image features
2022-11-23 10:52:46 -07:00
e2d6bb0c31
Merge branch 'develop' into pod-updates
2022-11-22 18:32:20 -05:00
a098b16030
expand valid range of bond/angle style gaussian. update docs and tests.
2022-11-21 22:28:44 -05:00
13e6c82273
document the change of the reset_* commands
2022-11-21 18:02:46 -05:00
e9ec915e45
document removal of "box" command.
2022-11-21 17:59:29 -05:00
cbab8fa102
update documentation with new command names
2022-11-21 17:52:33 -05:00
356827df12
update documentation for removal of box command
2022-11-21 14:04:58 -05:00
1c1f3f8e2b
update pod doc
2022-11-20 12:30:11 -05:00
6c87236e7a
fix typos
2022-11-18 13:29:23 -05:00
60122f2aeb
update docs
2022-11-17 23:23:29 -05:00
c9a6299d28
add reset command to docs, adapt pages for sub-commands
2022-11-17 22:52:07 -05:00
03247aa28e
add reset_image_flags command
2022-11-17 21:04:35 -05:00
ae59b6ca3f
Merge branch 'correct-tune' of github.com:mehdibghk/lammps into collected-small-changes
2022-11-17 10:56:10 -05:00
dde2ef3462
correct a grammatical error
2022-11-17 23:25:04 +08:00
df5cfd18eb
start adding support for dump image of grid cell values
2022-11-16 15:35:21 -07:00
a46b1114ff
spelling updates for fix bond/react
2022-11-16 14:15:56 -05:00
ef7b5017cf
Merge branch 'develop' into collected-small-changes
2022-11-15 21:05:34 -05:00
4655039774
Merge pull request #3514 from jrgissing/per-bond_custom_constraint
...
bond/react feature updates
2022-11-15 21:03:12 -05:00
81c37f6dd6
add versionchanged tag to "python source" docs
2022-11-15 17:15:07 -05:00
7b968cf7a9
Merge branch 'develop' into collected-small-changes
2022-11-15 16:31:27 -05:00
97bd404f33
add versionadded marker
2022-11-15 03:46:50 -05:00
3fd122311d
some more grammar updates and clarifications
2022-11-15 03:45:04 -05:00
5f0fff58ac
fixing broken doc references
2022-11-14 21:16:03 -07:00
a2435ea200
more work on dump grid/vtk
2022-11-14 15:31:11 -07:00
175b2b045a
tweak grammar
2022-11-14 14:10:43 -05:00
a7de83d289
Update Kokkos Install.sh and fix typo in docs
2022-11-14 08:24:28 -07:00
670f68e4d5
Merge branch 'lammps:develop' into fix_viscous_kokkos
2022-11-14 13:43:28 +01:00
4647096a97
Add docs
2022-11-14 13:30:41 +01:00
5e832aa360
revise documentation
2022-11-11 22:05:09 -05:00
72752931fa
version tags
2022-11-11 17:25:49 -05:00
d1dd8d3c11
Renaming files/classes, other small, misc updates
2022-11-10 16:06:36 -07:00
34a5093229
refactor handling of the python source command. document it and more limits.
2022-11-10 16:03:06 -05:00
4e36a81f2a
clarify doc page
2022-11-09 10:05:24 -07:00
64c9f7ffed
Merge branch 'develop' into electrode
2022-11-08 09:46:56 +01:00
a3e7106f31
expand docs for bond/angle/dihedral/improper styles
2022-11-07 23:52:23 -05:00
aa46f5560a
add .. versiondded:: tag to BPM package commands and restrictions text consistent
2022-11-07 22:57:32 -05:00
da929b4f7f
Fix merge conflicts
2022-11-07 17:37:50 -07:00
1fbd45a05d
Format docs
2022-11-07 17:33:00 -07:00
90b54300e9
remove whitespace
2022-11-07 16:18:40 -07:00
