9159a43d5d
Merge pull request #1737 from akohlmey/next_patch_release
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Step version string for next patch release
2019-10-30 17:47:10 -04:00
63cce391ca
Adding the documentation for the new 'kim_param' command
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New documnetation is added and the whole document is checked
and partly rewritten for clarity and errors are corrected
Adding the word "Zm" to prevent the spelling error in document
building check.
2019-10-29 11:51:05 -05:00
4743c0004f
Commit JT 102819
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- corrected issue in Zeeman precession
- improved documentation of Zeeman interaction
2019-10-28 15:34:52 -06:00
a0d74ca2ae
Bug fix for gay-berne potential when mu != 1.0.
2019-10-27 22:31:00 -07:00
050a0d4f5c
fixing link issues
2019-10-27 12:15:50 +01:00
e263890a6b
inclusion of reference links in the text
2019-10-26 18:09:11 +02:00
b3dbf7925a
print warning when GPU pair style increases the communication cutoff
2019-10-26 05:15:58 -04:00
22288e06b7
Merge branch 'master' into fix-compiler-warnings
2019-10-25 14:07:50 -04:00
33b14891ab
Merge pull request #1730 from ohenrich/user-cgdna
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USER-CGDNA quasi-unique base pairing
2019-10-25 13:45:29 -04:00
9ecbaf0407
Merge pull request #1732 from wmbrownIntel/doc-gayberne-update
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Fixing Gay-Berne "extra" documentation to define epsilon parameters c…
2019-10-25 13:43:40 -04:00
4859f3e534
Minor documentation correction
2019-10-24 15:29:07 +02:00
f758d0670e
Small documentation simplification
2019-10-24 15:27:44 +02:00
9215bce14f
Updated and simplified documentation
2019-10-24 15:06:43 +02:00
4a669bb883
Renamed: adaptglok -> fire2
2019-10-24 14:14:00 +02:00
549c8ee734
Renamed: adaptglok -> fire2
2019-10-24 14:11:16 +02:00
b7fbb36b81
one more missing entry to required files
2019-10-23 12:10:20 -04:00
fad4cecc20
no need to define link targets that are not pointed to
2019-10-23 12:10:03 -04:00
22b9cce436
Update lammps.book
2019-10-22 20:44:06 +02:00
a8501f922c
Computing the eigenvalues of the gyration tensor and shape parameters per chunk
2019-10-22 20:35:54 +02:00
cac57ec7e0
Move release date ahead by another week to 30 October 2019
2019-10-22 16:48:39 +02:00
57da9d177f
step version string for next patch release
2019-10-21 04:02:08 -04:00
e44402326f
doc typo
2019-10-20 13:21:20 -06:00
a69bd0405a
add lowercase 'arrhenius' keyword to spellcheck
2019-10-19 23:09:10 -06:00
d429143589
bond/react: Arrhenius constraint
2019-10-19 22:15:52 -06:00
54733b204d
Merge pull request #57 from lammps/master
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rebase
2019-10-18 20:13:04 -06:00
30cff3faf3
Fixing Gay-Berne "extra" documentation to define epsilon parameters consistent with LAMMPS input.
2019-10-18 03:10:31 -07:00
bb21847f8a
have sphinx configuration switch math formula renderer for epub
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this still needs work, that has to be done after we switched to RST
2019-10-18 04:47:18 -04:00
c578e4e7fc
Enable COLVARS_LEPTON for make, update build doc for USER-COLVARS
2019-10-17 22:48:57 -04:00
c6f637f78f
Merge branch 'master' into user-cgdna
2019-10-17 18:40:50 +01:00
68dc2a7966
Added description of quasi-unique base pairing
2019-10-17 16:06:06 +01:00
68adc56e93
Merge branch 'master' into fix-compiler-warnings
2019-10-17 06:03:59 -04:00
e4c77f047f
document COLVARS_LEPTON flag to CMake configuration
2019-10-16 16:19:12 -04:00
4e6f83ced2
Merge pull request #1726 from akohlmey/singularity
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Add Singularity definition files suitable for compiling and debugging LAMMPS
2019-10-16 21:12:22 +02:00
10031e91bd
Update false_positives.txt
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Added the name of Mattice in the list
2019-10-16 20:25:53 +02:00
38c819c281
Update compute_gyration_shape.txt
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Addition of a textbook where the computed quantities are presented in more detail
2019-10-16 20:12:46 +02:00
45e8a41704
document support for r-RESPA in pair style zero
2019-10-15 17:34:37 -04:00
f3b2ec80af
add false positives and correct spelling to have a clean spellcheck run on centos 7
2019-10-15 16:56:23 +02:00
faf5ded721
fix formatting and include example for setting compiler flags to enable C++11
2019-10-15 16:55:51 +02:00
e4bbfc992b
Singularity definition files for compiling LAMMPS
2019-10-15 16:22:08 +02:00
29574eaa45
added "likewise" as suggested by @sjplimp
2019-10-11 17:19:47 +02:00
da56c7fc66
document freshly added warnings in header and manual
2019-10-11 16:47:35 +02:00
6e244bc8dc
Merge pull request #1631 from jibril-b-coulibaly/patch-2
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Bug fixes for pair style granular
2019-10-09 14:14:48 +02:00
945f903683
added an examples/UNITS dir
2019-10-08 18:02:21 -06:00
e77e286d95
Merge pull request #1707 from charlessievers/lammps_gjf
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Lammps gjf small updates
2019-10-08 23:06:36 +02:00
0e10fbb133
Merge pull request #1690 from charlessievers/third_order
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Added third order, added documentation, took out extraneous lines, ad…
2019-10-08 21:57:15 +02:00
9b15f4e2dc
Added the change to langevin gjf documentation
2019-10-08 12:47:30 -07:00
4f57332a89
Merge pull request #1706 from TOFarmer/create_bonds_improper
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Add single/improper to create_bonds
2019-10-08 21:40:31 +02:00
766b8c58d8
Merge branch 'master' into fft
2019-10-08 16:51:11 +02:00
ac8f2e431e
fix a few cut-n-paste issues
2019-10-08 14:49:20 +02:00
cf11e4be3c
Added documentation for single/improper
2019-10-08 11:51:19 +01:00
