e2fd95d8ed
Merge pull request #2240 from jrgissing/bond/react-reset_mol_ids
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support molecule ID resets in fix bond/react
2020-08-26 10:56:21 -04:00
ed63edc9da
lammps_has_error() and lammps_get_last_error_message() are always available but dummies without exceptions enabled
2020-08-26 09:10:59 -04:00
48d2a48a1f
import updated python module from progguide branch
2020-08-26 09:01:59 -04:00
7ab6def2ca
update list of Kokkos GPU archs in manual as well
2020-08-26 03:49:59 -04:00
abbbb0ab06
remove trailing whitespace
2020-08-26 03:42:50 -04:00
aa6dec84ed
update list of Kokkos supported architectures
2020-08-26 03:42:42 -04:00
e0439ac94f
Add compression_level parameter to dump atom gz
2020-08-26 00:14:32 -04:00
5cb8e73655
Add checksum and compression_level as dump atom/zstd options
2020-08-25 23:59:17 -04:00
0d8454ac25
First version of Zstd dump atom
2020-08-25 23:27:42 -04:00
b8f59fd37c
Update from master
2020-08-25 20:29:03 -06:00
4d90c2b74b
Update Kokkos library in LAMMPS to v3.2
2020-08-25 20:21:48 -06:00
1c10aa6a4d
GIFs are only supported in HTML
2020-08-25 17:15:34 -04:00
c256f2331f
JPG folder is no longer needed in HTML output
2020-08-25 16:59:39 -04:00
ae5c0bd8d1
Remove targets to JPG images
2020-08-25 16:44:50 -04:00
3a638440a4
Add missing PDF folder
2020-08-25 16:12:09 -04:00
80e07c69f0
add part of developer guide as to showcase the integration of the programmer guide
2020-08-25 15:07:09 -04:00
df8fb26272
Refactor changes to documentation build
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- Added CMake variables for readability
- Moved Mathjax files to _static to avoid special copy logic
- Moved JPG/lammps-logo.png to _static to avoid special copy logic
- Removed dead CMake code
2020-08-25 13:41:31 -04:00
14b66d1f84
tweak test tolerance of reax/c tests for running on ubuntu 18.04
2020-08-25 12:15:19 -04:00
f965786e74
refactor C library interface and add doxygen decorations
2020-08-25 11:45:07 -04:00
69cffb2d04
import test infrastructure for c, c++ and python library usage
2020-08-25 11:03:31 -04:00
024e4c5f21
make formatting and doxygen decorations for utils functions consistent
2020-08-24 20:55:13 -04:00
3f685c346f
add doxygen integration with conventional and cmake doc build
2020-08-24 17:58:37 -04:00
dc241abb85
Merge pull request #2305 from akohlmey/next_patch_version
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Update version strings for updated patch release
2020-08-24 13:46:50 -04:00
8cbc3e421f
clean up
2020-08-24 17:49:38 +02:00
93e4ed9770
Merge pull request #2304 from akohlmey/collected-small-changes
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Collected small changes for the next patch release
2020-08-24 11:43:42 -04:00
090ef2d1e8
merge error fix
2020-08-24 17:10:33 +02:00
9bdb7b5b98
gatherscatter
2020-08-24 17:09:16 +02:00
28d59ce594
final steps
2020-08-24 17:04:35 +02:00
2ee6e9077a
Merge remote-tracking branch 'upstream/master' into 2020
2020-08-24 17:02:53 +02:00
e8fb7c7ece
big update
2020-08-24 16:54:16 +02:00
7e1a3bd4d5
Merge pull request #2302 from akohlmey/consistent-doc-headers
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Consistent subsection headers for commands
2020-08-24 10:52:09 -04:00
47a44732e7
add test for fix restrain
2020-08-23 15:29:58 -04:00
8f5e8300ea
fix typos in fix restrain docs
2020-08-23 15:29:49 -04:00
0842911cd8
Rename local buffers 'red_acc' in lal_tersoff*
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Rename __local red_acc in lal_tersoff
2020-08-23 22:22:28 +03:00
10080079e3
ISO compliance
2020-08-23 11:44:48 -04:00
63abb2dff9
fix broken reset_mol_ids command
2020-08-23 11:32:54 -04:00
01dd80f35e
bond/react: actually make reset_mol_ids the default
2020-08-23 11:21:43 -04:00
fb634658de
add tests for a few more force manipulation fixes
2020-08-23 07:01:38 -04:00
c503bba008
add custom pair style tests for reax/c and edip/multi
2020-08-23 06:44:33 -04:00
0fb8f6e779
add test for pair style momb
2020-08-22 23:15:20 -04:00
66b17fd2ce
dispersion only tests for buckingham
2020-08-22 23:03:20 -04:00
3def826dbe
add more tests for variants using long-range dispersion pair styles
2020-08-22 22:55:15 -04:00
f18d0507b3
fix issues with lj/long pair styles when not using long-range for dispersion
2020-08-22 22:54:38 -04:00
c8f2634b44
add tests for tabulated msm coulomb
2020-08-22 22:08:08 -04:00
e78100bdba
add (partial) tests for pair styles dpd and dpd/tstat
2020-08-22 22:00:13 -04:00
2907a10937
update version strings for new attempt for a patch release
2020-08-22 16:42:39 -04:00
1879106cc3
Merge pull request #2299 from rbberger/doc_file_size
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Avoids HTML doc pages from becoming too large
2020-08-22 15:45:06 -04:00
9152a8e98f
avoid division by zero in imaging code
2020-08-22 15:32:04 -04:00
2fd654f4fd
silence compiler warnings about unused variables
2020-08-22 15:06:00 -04:00
86153a0f77
avoid division by zero in MathExtra normalize functions
2020-08-22 15:03:27 -04:00
