7f87ccccc8
Merge branch 'collected-small-changes' into next_patch_version
2020-08-21 11:18:10 -04:00
4c46119a48
Merge pull request #2280 from lammps/gridcomm-tiled
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Support for tiled decompositions in PPPM
2020-08-21 00:16:20 -04:00
203ab71b62
Merge branch 'master' into gridcomm-tiled
2020-08-20 17:00:55 -04:00
cd7ba1d007
Merge branch 'master' into more-fix-tests
2020-08-20 16:41:29 -04:00
92622d9079
add restart support to fix temp/rescale, fix spring/chunk, and fix spring/rg
2020-08-20 15:32:10 -04:00
fc9f0dbcbc
correct fix npt/cauchy docs
2020-08-20 11:29:30 -04:00
6bda49e8d8
step version strings for next patch release
2020-08-20 07:46:01 -04:00
729b3d2717
major whitespace cleanup
2020-08-19 18:46:35 -04:00
acd0a62de7
add new fix style momentum/chunk
2020-08-19 14:44:18 -04:00
23be41a1d3
fix typos and indentations
2020-08-16 04:43:07 +02:00
6d725c9b1c
Merge pull request #2287 from akohlmey/lattice-region-tester
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Add unittest tool for lattice and region (/w create_box/create_atoms)
2020-08-13 11:47:08 -04:00
33118491a9
update custom lattice example for better syntax highlighting and remove unused lines
2020-08-12 22:16:50 -04:00
adf8d638e8
add missing word
2020-08-11 21:23:47 -04:00
99604a6155
Merge branch 'collected-small-fixes' into fix-tester
2020-08-11 20:26:46 -04:00
51a7038dbf
Merge branch 'master' into fix-tester
2020-08-11 16:14:27 -04:00
ac43f8f685
Merge pull request #1865 from danicholson/bond-style-special
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Add bond style special
2020-08-11 16:06:26 -04:00
3cae295f5b
make test for unsupported pair styles more restrictive and improve docs about that
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EAM styles have a single function but are not compatible, so we test for
single_enable == 0 and manybody_flag != 0.
Improve explanation in the documentation about which pair styles are not supported.
2020-08-11 15:04:14 -04:00
265b7cf11c
use new dependency resolver in pip for the documentation build virtual environment
2020-08-11 14:11:44 -04:00
03ca86ee84
Merge branch 'master' into bond-style-special
2020-08-11 13:55:24 -04:00
46021a57a6
addressed incompatibility with long range coulombics
2020-08-11 12:22:07 -04:00
5ee4346700
fixed test for tip4p_long_soft, and mentioned the required coefficients for coul/*/soft sub-styles
2020-08-10 17:16:07 -04:00
869b09a78f
fix typo
2020-08-10 11:08:30 -04:00
4b7356f5af
add support for testing virial contributions from fixes (as an option)
2020-08-09 16:39:31 -04:00
f1da1ed180
document restart capability of fix temp/csld and fix temp/csvr
2020-08-09 15:29:12 -04:00
3ebd194090
update documentation for unit testing to include timestepping fix tests
2020-08-09 08:18:35 -04:00
62a501ebda
store cumulative energy change in restart file
2020-08-09 01:27:14 -04:00
15db052c80
Merge branch 'master' into collected-small-changes
2020-08-05 22:10:10 -04:00
c3075250ee
Merge pull request #2273 from abhiShandy/pair-tests-aug4
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Bunch of units tests for pair-style, angle-style, bond-style
2020-08-05 22:09:28 -04:00
1a642d36ae
fix typo in the math of pair style dpd doc
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- missing closing backticks for math
- V fixed to v for relative velocity
2020-08-04 22:50:26 +02:00
f4aede49dc
Merge branch 'master' into multi-comm-tiled
2020-08-03 22:37:23 -04:00
6bc65dc14c
reference typos in doc
2020-08-03 20:49:02 -04:00
33aa96b1bf
test for buck/mdf, fixed bug in broadcasting inner cutoff, typos in doc
2020-08-03 20:07:24 -04:00
6576c4cbf3
Merge pull request #2260 from akohlmey/collected-small-changes
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Collected small changes
2020-08-03 18:02:17 -04:00
ca7039aa96
Merge pull request #2271 from abhiShandy/pair-tests-Aug3
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Unit tests for born/coul, ufm, yukawa, soft
2020-08-03 17:23:22 -04:00
8d406403bb
fix typo in manual
2020-08-03 16:07:06 -04:00
d0be219419
Refactor check-styles.py
2020-08-03 14:26:55 -04:00
f9d1a914fb
Update check-packages.py
2020-08-03 13:49:37 -04:00
4549493145
Refactor check-packages.py
2020-08-03 13:47:40 -04:00
80ceff55d5
failing test for UFM, with cosmetic change in its CPP, and doc correction
2020-08-03 06:01:59 -04:00
74f50ed1bd
Merge branch 'master' into collected-small-changes
2020-07-31 21:51:10 -04:00
1f1263645e
Document warning about short communication cutoff vs. bond length based estimate
2020-07-31 11:03:26 -04:00
7d46aa6185
Merge pull request #2256 from akohlmey/cmake-use-alternate-linker
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Use alternate/faster linker if available
2020-07-29 21:40:17 -04:00
2fa642d95e
document custom linker choice
2020-07-29 18:01:17 -04:00
cb98fa00da
enable CommStyle tiled and load-balancing to work for triclinic
2020-07-29 14:30:49 -06:00
5528d4d18c
trim excessive white from images
2020-07-23 00:36:15 -04:00
f60c13c845
fix incorrect link
2020-07-23 00:36:02 -04:00
c21ce0b289
make horizontally aligned image formatting consistent and display "click on" message only with html output
2020-07-23 00:35:49 -04:00
b97f2e5b6b
Update compute_saed.rst
2020-07-22 16:48:21 -04:00
bf848c0515
Update compute_xrd.rst
2020-07-22 16:45:56 -04:00
1123add481
Update create_atoms.rst
2020-07-22 16:44:04 -04:00
