def387c21e
Added missing "Syntax" label
2020-06-07 23:01:48 +02:00
92012ef047
fix permissions
2020-06-06 10:44:09 -04:00
17306c0469
Merge branch 'master' into add-ECO-DF
2020-06-06 10:37:12 -04:00
9482f7f834
fix up typesetting of docs, spelling, and integrated into fix command table
2020-06-06 10:01:07 -04:00
cbd4f59d45
updates "add eco df"
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We think we followed all your requests/advice/suggestions (thanks!). We were unable to compile the current master (!) on Ubuntu and MacOS unless we added -std=c++11 to the Makefile(s) compiler flags. Note that this is NOT related to this pull request / the ECO Force. With this compiler flag, the current master works well with the fix_orient_eco (now renamed). The fix has been moved to USER-MISC (but we hope to get it to MISC later). We can't "make style_check ", but we have added our command to commands_fix.rst. We don't know GitHub well enough, so we don't know how to make sure that the PR #2122 was already included in the master, which we downloaded today.
2020-06-05 14:57:59 +02:00
08a6efe6b1
Update fix_eco_force.rst
2020-06-03 12:32:05 +02:00
def79f246a
Update fix_eco_force.rst
2020-06-02 10:35:22 +02:00
ff6675e4d8
Update docs for fix wall/gran and wall/gran/region
2020-06-01 12:00:27 -04:00
b81826131b
Merge branch 'master' into bond/react-molecule-fragment-support
2020-05-31 16:34:41 -04:00
09ce0d1198
rephrase to use more common term
2020-05-31 16:33:37 -04:00
2a4bd9ef53
small tweaks and documentation update to coverage cleaning targets
2020-05-29 08:33:34 -04:00
7bcf50b129
mention reset_coverage data
2020-05-29 08:26:26 -04:00
c2ab177c3a
add some explanations and figures for code coverage
2020-05-29 08:24:05 -04:00
98b0619c3c
ECO Driving force
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adds an energy to each atom depending on the surrounding crystal orientation, in order to drive grain boundaries
2020-05-28 13:51:56 +02:00
b0f6eafac8
minor doc clarification
2020-05-27 23:37:35 -06:00
315463e65f
Merge pull request #2108 from akohlmey/more-pair-style-tests
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Add unit tests for manybody pair styles
2020-05-27 18:48:22 -04:00
9bc03034ef
add some initial documentation about the included tests
2020-05-27 18:02:32 -04:00
2e3f03f9ca
remove pair style eam/cd/omp which seems broken beyond repair
2020-05-26 20:55:57 -04:00
5d6c18dbed
one more correction for cmake --build
2020-05-26 12:29:03 -04:00
31a3e84950
correct documentation about cmake --build with targets
2020-05-26 12:26:44 -04:00
375fb4b314
bond/react: change 'general name' for method
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and update contact info
2020-05-23 23:32:49 -06:00
60e0a8a6a8
Update fix_bond_react.rst
2020-05-23 23:12:16 -06:00
2371db3242
add missing "reciprocal"
2020-05-21 07:41:07 -04:00
e784afd60f
use proper units (fmsec -> fs, psec -> ps and so on)
2020-05-21 01:13:15 -04:00
293bfa0485
fix typo
2020-05-21 01:13:03 -04:00
c04a71a239
add unit test framework for pair, bond, angle styles from progguide branch
2020-05-19 22:24:31 -04:00
ed43c1e22b
Merge branch 'master' into feature-cnt
2020-05-18 18:23:16 -04:00
e26be18b1e
update
2020-05-18 17:28:48 -04:00
a6cfe8f642
update Kokkos related documentation about JIT compilation and UVM.
2020-05-11 18:07:51 -04:00
9b99ad271f
Adding new ptemp keyword to fix nh
2020-05-11 14:34:00 -06:00
8301c7a9c6
Merge branch 'master' of ssh://github.com/lammps/lammps into atomvec-custom
2020-05-06 15:53:21 -06:00
1329603184
Merge pull request #2019 from z-gong/viscosity
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Fix and compute styles for calculating viscosity with periodic perturbation method
2020-05-04 17:42:31 -04:00
6d0ef85671
Merge pull request #2055 from akohlmey/reaxc-runtime-adjust
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Make MIN_HBONDS define for reax/c configurable via an input option
2020-05-04 10:28:13 -04:00
48262fd0a9
Merge pull request #2051 from akohlmey/collected-small-changes
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Collected small changes for the next patch release
2020-05-04 10:06:45 -04:00
bed6ad4660
manually incorporate fixes for ave/correlate/long from PR #2066
2020-05-04 08:18:56 -04:00
4bf9c47317
support diskfree option to "fix halt" also on BSD variants
2020-05-03 02:34:40 -04:00
1418ec4ace
make MIN_HBONDS define for reax/c configurable via an input option
2020-05-01 23:22:48 -04:00
5cb9d12538
whitespace cleanup
2020-05-01 14:34:20 -04:00
8e32f623f1
reformatted table for per-atom fields
2020-05-01 11:48:08 -06:00
807b0fce7e
fix broken doc page links to new fix sph commands
2020-05-01 09:48:01 -06:00
64fdaaec3c
citation update
2020-05-01 16:19:03 +02:00
2ff463cc6e
fixed typo and checked make html
2020-05-01 16:11:25 +02:00
012c344622
updated documentation
2020-05-01 16:10:45 +02:00
0cf5636034
Add missing paramemter to compute_orientorder_atom docs
2020-05-01 08:01:29 -06:00
6eb9923c68
added documentation
2020-05-01 15:58:32 +02:00
4e0c835e9e
fixed dimension in error message
2020-05-01 15:57:16 +02:00
6817355a41
Update docs
2020-05-01 07:53:41 -06:00
7c620f7514
removed redundant region check, made com/overdamped "yes" or "no" instead of 0/1
2020-05-01 14:36:06 +02:00
feb6e10734
error messages
2020-05-01 13:53:24 +02:00
25b6d98658
correct references and table format
2020-04-30 20:19:23 -04:00
