efaa4c6710
new neigh_modify exclude option, other SNAP changes
2017-03-07 09:31:12 -07:00
08baaa9d8e
Fix more typos in tools
2017-03-07 01:00:25 -05:00
359af419a7
Fix typo in python README
2017-03-07 00:58:35 -05:00
21be86c423
Fix typos in txt2html
2017-03-07 00:58:03 -05:00
d6800405a5
Fix more typos in examples
2017-03-07 00:57:23 -05:00
3a054d1a82
Fix more typos in src files
2017-03-07 00:55:01 -05:00
007f3c66a0
Third batch of spelling fixes in manual
2017-03-07 00:51:31 -05:00
32708860a9
Add remaining false positives
2017-03-07 00:27:35 -05:00
fc9eebb936
Added spellcheck utility to documentation build
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Uses the sphinxcontrib-spelling extension and requires PyEnchant and
aspell-en to be installed.
Adds the optional make target 'spelling' which produces the file
spelling/output.txt. It contains all words it detects.
Due to the large number of false positives, words in
utils/sphinx-config/false_positives.txt are ignored.
2017-03-05 21:23:41 -05:00
dd76ac5010
Fix typos in tools folder
2017-03-05 21:18:01 -05:00
17486a9319
Convert USER/lb/polymer files to UNIX line endings and remove trailing whitespace
2017-03-05 21:16:21 -05:00
778a79b8ee
Fix typos in examples folder
2017-03-05 21:10:33 -05:00
7dd60f9737
Fix typos in src files
2017-03-05 21:03:40 -05:00
084d831bce
Second batch of spelling fixes in manual
2017-03-05 21:02:51 -05:00
e261bef7bb
Spelling fixes in source files
2017-03-05 18:30:39 -05:00
fd78486086
First batch of spelling fixes in manual
2017-03-05 18:27:38 -05:00
6382d3c89a
Improving memory access in comm_kokkos
2017-03-03 09:14:47 -07:00
763a00e8b0
USER-DPD: pair_multi_lucy_rx bugfix for systems with multiple atom types
2017-03-03 09:29:17 -05:00
ce1a3f25e1
Merge branch 'pair_write_fix' of https://github.com/andeplane/lammps into small-bugfixes
2017-03-03 08:11:55 -05:00
eaf7ed7707
Print error if pair_write does not get correct number of arguments
2017-03-02 21:25:27 -08:00
9a560b9091
USER-DPD bugfix: make atom_vec_dpd work properly with atom_vec_hybrid.
...
We were sending too much data during pack_comm_hybrid/unpack_comm_hybrid.
2017-03-01 15:22:28 -05:00
8a0e44db83
updated documentation and ev_tally
2017-03-01 16:13:44 +01:00
1dc78a7e58
USER-DPD: correct off-by-one errors in PairMultiLucyRX::coeff()
2017-02-28 17:45:21 -05:00
7a593c2fc8
USER-DPD: correct off-by-one errors in PairTableRX::coeff()
2017-02-28 14:25:03 -05:00
3ac74a1d69
update lammps.book file for latest doc changes
2017-02-28 11:21:18 -05:00
3605208a45
add a few more missing details for integrating pair style kolmogorov/crespi/z
2017-02-28 11:16:27 -05:00
9b01949cac
make the introduction of the command-by-category list less confusing
2017-02-28 11:05:40 -05:00
323570c920
added jpg for kolmogorov-crespi-z equations and fixed hybrid/overlay check in source
2017-02-28 15:39:01 +01:00
df13a7a003
email added
2017-02-28 15:12:35 +01:00
a1b40b902d
Added Kolmogorov-Crespi potential
2017-02-28 14:59:13 +01:00
b921b69f47
implement bugfix from issue #388
...
this closes #388
2017-02-27 18:22:21 -05:00
c0cf50bce5
trigger recomputing ichunk between runs unless requested otherwise
...
this fixes #390
2017-02-27 18:19:59 -05:00
2708c86836
fix typos: moleclue -> molecule
...
this closes #386
2017-02-27 18:03:18 -05:00
9999f363a1
remove outdated log files, too.
2017-02-24 15:34:59 -05:00
a18b4ef4b0
update AGNI potential for Al, reference runs and output and citation
2017-02-24 15:33:13 -05:00
3626496c7c
Corrected comment in 3' to 5' directionality check
2017-02-22 20:06:49 +00:00
458b6749e7
Corrected comment in 3' to 5' directionality check.
2017-02-22 20:03:41 +00:00
20a9ffe69d
improve consistency and resolve dead links for USER-CGDNA related doc files
2017-02-21 21:27:34 -05:00
49e83b4348
patch 21Feb17 sync with GHub
2017-02-21 16:07:26 -07:00
6e89ccd522
Merge pull request #385 from akohlmey/collected-small-bugfixes
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collected small bugfixes and updates
2017-02-21 15:59:06 -07:00
53f3df5bfc
Merge pull request #384 from lammps/another_neigh_refactor
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more neighbor list changes, some new options
2017-02-21 15:57:23 -07:00
3dbbea342a
remove a debug print line
2017-02-21 15:57:03 -07:00
b70c670aac
Merge pull request #383 from stanmoore1/rshan_class2_kk
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Kokkos version of class2 bond, angle, dihedral, and improper from Ray Shan
2017-02-21 15:52:10 -07:00
1d17cae407
Merge pull request #382 from timattox/master_kokkos_neigh_bugfix
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neighbor_kokkos.cpp: Don't call grow() on neighbor lists that are copies
2017-02-21 15:51:35 -07:00
429264a12b
Merge pull request #380 from hheenen/core_shell_documentation
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updated documentation and examples for coreshell
2017-02-21 15:50:53 -07:00
d001a09345
Merge pull request #379 from ndtrung81/pppm-gpu-compute-group-group
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Fixed bugs with pppm/gpu when used with compute group/group
2017-02-21 15:50:28 -07:00
cb9d42da08
Merge pull request #378 from timattox/USER-DPD_ssa_update
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USER-DPD: performance optimizations to ssa_update() in fix_shardlow
2017-02-21 15:50:07 -07:00
7185ec92b3
Merge pull request #377 from stanmoore1/kokkos_update
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Kokkos library update
2017-02-21 15:49:50 -07:00
1cd4c48ccc
new SNAP potential for W
2017-02-21 15:49:21 -07:00
a88136c3f5
correct a logic bug in fix wall/gran/region
2017-02-17 17:58:24 -05:00
