ef72145540
Readme for examples
2017-03-16 21:10:41 +09:00
d17d99b9dd
UPLOAD Formulas for EES
2017-03-13 22:54:09 +09:00
68b2a454b5
UPLOAD fix_wall_ees_image
2017-03-13 22:53:10 +09:00
23c3f5622a
DOC files for USER-EES
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txt doc files for fix_wall_ees and fix_wall_region_ees added.
2017-03-13 22:51:15 +09:00
6311d33a5d
UPLOAD source files
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source files and install.sh added
2017-03-13 22:49:04 +09:00
e136a9db02
Create README
2017-03-13 22:48:12 +09:00
f871ecdc67
change to RCB cuts in load-balancing commands, also a new option for fix halt
2017-03-10 15:55:07 -07:00
470353e320
Merge pull request #408 from giacomofiorin/colvars-update-2017-03-10
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Colvars update 2017-03-10
2017-03-10 14:51:16 -07:00
ffe02d20ca
Merge pull request #406 from stanmoore1/kokkos_bugfix
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Fix Kokkos issues
2017-03-10 14:51:04 -07:00
f70752c18f
Include PDF of Colvars doc missing in previous commit
2017-03-10 15:58:35 -05:00
07fcfd6d54
Merge pull request #405 from stanmoore1/ev_setup_kk
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Add alloc flag to ev_setup
2017-03-10 11:01:51 -07:00
c97feafca6
Merge pull request #407 from frobnitzem/master
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Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp
2017-03-10 11:00:30 -07:00
b20d95d495
Merge pull request #402 from timattox/USER-DPD_spelling
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Fix spelling "correction" from 3a054d1a
2017-03-10 10:59:43 -07:00
0b4adaa9e6
Backport typo fixes that were not previously pushed to the Colvars repository
2017-03-10 09:24:46 -05:00
5fe6206638
Update Colvars module to version 2017-03-10
2017-03-10 09:16:58 -05:00
65964f3b31
Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp
2017-03-09 16:49:07 -05:00
b28b84d444
Fix half from full nlist issue with Kokkos
2017-03-09 14:00:27 -07:00
a001a5ceb0
Fixing memory overflow issue in comm_kokkos
2017-03-09 12:20:49 -07:00
2ef713ea1b
restore incorrect change due to spell checking in fix imd
2017-03-08 16:40:16 -05:00
1f6c1942b3
Disable allocation of per-atom arrays in ev_setup for Kokkos styles
2017-03-08 12:42:44 -07:00
683023d820
Adding alloc flag to ev_setup
2017-03-08 12:36:23 -07:00
42d3a8f498
Fix spelling "correction" from 3a054d1a: iterations not interactions. :-)
2017-03-07 15:41:06 -05:00
79b005dc3d
patch 7Mar17
2017-03-07 11:40:07 -07:00
a2fa6ef452
Merge pull request #393 from akohlmey/small-bugfixes
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Small bugfixes
2017-03-07 09:56:03 -07:00
920641bbff
Merge pull request #399 from rbberger/docs_spelling_fixes
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Correct spelling errors in documentation
2017-03-07 09:47:22 -07:00
c2aabdec22
Merge pull request #398 from stanmoore1/kokkos_changes
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Kokkos changes
2017-03-07 09:46:54 -07:00
e4aa735a68
Merge pull request #395 from timattox/USER-DPD_bugfix
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USER-DPD: a variety of small but important bugfixes
2017-03-07 09:46:40 -07:00
4af6557568
Merge pull request #394 from jaapkroe/kolmogorov-crespi
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Added Kolmogorov-Crespi potential
2017-03-07 09:46:08 -07:00
0798885bdb
Merge pull request #389 from akohlmey/update-agni-potential
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update AGNI potential for Al, reference runs and output and citation
2017-03-07 09:35:31 -07:00
020e75e7ef
Merge pull request #386 from akohlmey/doc-consistentcy
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improve consistency of manual
2017-03-07 09:33:14 -07:00
d6866f1cfd
Merge pull request #376 from v0i0/airebo-bondorderLJ-fixes
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Fixes for PairAIREBO::bondorderLJ
2017-03-07 09:32:30 -07:00
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
