e1a0cc29be
docs: update build section
2024-08-14 00:42:36 -06:00
cf0bc0e6bb
docs: update install section
2024-08-14 00:03:10 -06:00
063e6bcdc8
small tweaks
2024-08-13 11:06:04 -04:00
1af5519379
update -restart2info and info docs
2024-08-12 22:57:21 -04:00
54dc7776f2
small grammar tweak
2024-08-08 21:27:06 -04:00
23fb11736a
rewrite
2024-08-08 15:30:20 -04:00
bd0574c11d
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2024-08-08 13:43:25 -04:00
62665dd079
Merge pull request #4266 from akohlmey/geturl-command
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New geturl command to download files for LAMMPS inputs on demand
2024-08-08 13:42:21 -04:00
eac7c6a8ed
rephrase
2024-08-08 11:12:30 -04:00
6f3056511b
follow common convention for manual pages documenting multiple styles
2024-08-08 05:00:01 -04:00
6bc0cae2d4
fix up fix colvars docs
2024-08-07 16:07:58 -04:00
6544861bd3
document large restart file warning
2024-08-07 16:01:02 -04:00
7f8bcbd93a
document "verbose" keyword to "geturl"
2024-08-07 14:01:23 -04:00
c47a32206b
add versionadded tags
2024-08-07 10:47:58 -04:00
dcb3871e58
doc integration of gerurl
2024-08-07 09:37:49 -04:00
b645a0c4b1
new command geturl
2024-08-07 09:37:09 -04:00
530d6b5869
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2024-08-06 18:39:36 -04:00
b7bb8083ed
implement -restart2info command line flag and document it
2024-08-06 17:14:46 -04:00
19b7d3eac6
mention LAMMPS-GUI as visualizer option and tool to general dump image commands
2024-08-06 11:16:20 -04:00
5f86046a92
document "Inspect Restart" feature
2024-08-06 06:36:54 -04:00
654fd05f0e
Merge branch 'develop' into collected-small-fixes
2024-08-05 22:43:50 -04:00
a42d632aed
Merge branch 'develop' into colvars-update
2024-08-05 21:38:57 -04:00
843e678a78
Merge pull request #4255 from akohlmey/collected-small-changes
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Collected small changes and fixes
2024-08-05 20:53:15 -04:00
d9e0847c3b
update read_restart docs about timestep info
2024-08-05 19:27:36 -04:00
133dee9ac1
Update Colvars library to version 2024-06-04
2024-08-06 01:07:43 +02:00
278accd9ea
Update FixColvars to expand usage of fix_modify commands
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See https://github.com/Colvars/colvars/pull/418
Also moving inthash code to a separate file to simplify future refactoring
2024-08-06 01:05:51 +02:00
e599663b2b
Update dump_image.rst
2024-08-05 18:11:53 -04:00
f20aa6271c
also support bcolor, bdiam
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(type label support)
2024-08-04 19:35:02 -04:00
a0f4da37e9
docs for type label support
2024-08-04 19:09:18 -04:00
66621a99fd
update docs for LAMMPS-GUI to include recent additions
2024-08-04 18:48:35 -04:00
1d1b448e18
update Linux installation docs to describe flatpak installation
2024-08-04 06:34:07 -04:00
7c9703b416
update LAMMPS-GUI docs for changing the default of "Reformat on 'Enter'"
2024-08-03 09:16:34 -04:00
332157fa9b
fix typo
2024-08-02 15:40:40 -04:00
b5460061be
more details about running CLI utils in the flatpak bundle
2024-08-02 11:50:15 -04:00
e73e522e40
update docs for installing LAMMPS-GUI
2024-08-02 10:19:42 -04:00
7a3ba6027b
add option to skip death tests for use with valgrind checking of unit tests
2024-08-01 17:38:12 -04:00
75b09ed143
discuss in more detail MPI support in PyLammps. Some small improvements in MPI support
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MPI related changes are:
- Raise exception in PyLammps.eval() if called from MPI rank
- Print (some) informational and warning messages only from MPI rank 0
2024-07-30 11:27:31 -04:00
bd2e071ef0
clarify that hybrid styles also do not write coeff data to data files
2024-07-30 08:59:51 -04:00
208216ba3d
Merge branch 'kokkos-amd-gfx1103-support' into collected-small-fixes
2024-07-30 08:46:22 -04:00
0ea45d89d9
clarify that all hybrid styles do not write Coeff sections
2024-07-30 05:45:24 -04:00
60d118a41a
update to current list of compression tools
2024-07-29 20:13:27 -04:00
1d5aa19e4f
document on-the-fly decompression for file viewer
2024-07-29 20:13:09 -04:00
e1f17cec7d
update list of supported devices
2024-07-29 17:11:51 -04:00
2f2412bd95
correctly use versionchanged command
2024-07-29 15:24:05 -04:00
6bb89f6a14
Merge branch 'develop' into collected-small-fixes
2024-07-29 15:17:55 -04:00
04f7aaca26
Merge pull request #4243 from jtclemm/sph-update
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Cleaning up and fixing bug in SPH package
2024-07-29 15:16:48 -04:00
4d8e03e2ae
document recenter option
2024-07-29 00:16:31 -04:00
ffdf499cb1
fix typo
2024-07-28 11:24:46 -04:00
3654f822f3
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2024-07-28 03:31:08 -04:00
122e9176e7
Merge pull request #4240 from akohlmey/more-typelabel-support
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Add some more typelabel support
2024-07-28 03:30:36 -04:00
