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
75061d4b9d
docs: expand author list
2024-08-02 12:54:03 -06:00
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
cb00839357
Merge branch 'develop' into plumed-plugin
2024-07-30 20:30:21 -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
a3775f785a
add some installation info
2024-07-27 08:55:02 -04:00
6eb6d972e9
more doc tweaks
2024-07-27 04:38:20 -04:00
8b0aaa814e
small tweak to refer to LAMMPS-GUI more consistently
2024-07-27 00:19:21 -04:00
06563b8255
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2024-07-26 22:48:26 -04:00
08fdad12e8
fix typo and rewrap
2024-07-26 19:47:10 -04:00
a972a282a7
Adding remap v restriction to doc files
2024-07-26 17:43:04 -06:00
e7d338573f
Merge branch 'develop' into spica-kk
2024-07-26 19:10:46 -04:00
ca25071353
include generic accelerated style blurb
2024-07-26 18:33:07 -04:00
06767886de
Merge branch 'develop' into collected-small-fixes
2024-07-26 18:32:49 -04:00
343d600410
make docs consistent with rest of manual and rephrase fix shake changes
2024-07-26 17:23:46 -04:00
e28de32a77
update docs, kk accel style
2024-07-26 13:06:17 -06:00
a2f461c688
fix cut-n-paste doc issue
2024-07-26 10:35:07 -04:00
c0c69af709
update LAMMPS-GUI howto docs
2024-07-26 10:19:15 -04:00
c8818a16c5
Add menu entries to open LAMMPS tutorial website
2024-07-25 22:14:06 -04:00
df4ae41283
update docs for added typelabel support
2024-07-25 21:25:14 -04:00
1e41dfaeb9
Adding movie references to BPM/RHEO
2024-07-25 15:18:45 -06:00
590c7dcf8f
Merge branch 'lammps:develop' into spica-kk
2024-07-25 13:54:44 -04:00
90291a9b3a
Merge pull request #4237 from Yi-FanLi/pimd_langevin_lj
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fix pimd/langevin: improve usage of lj reduced units
2024-07-24 18:58:12 -04:00
992b279b3a
Merge branch 'develop' into pimd_langevin_lj
2024-07-23 21:34:30 -04:00
