d76569c033
Merge pull request #1320 from eofetis/manual-pdf-support
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Add support for Sphinx+PDF+MathJax
2019-02-22 15:10:13 -05:00
e6df92e65a
Merge pull request #1011 from ellio167/kim-v2-update
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KIM v2 update
2019-02-21 20:06:59 -05:00
e6a7c8b03b
Merge pull request #1335 from donatas-surblys/langevin-tally-zero
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correct fix langevin with tally yes zero yes
2019-02-21 20:06:44 -05:00
12bec9cbad
Merge pull request #1339 from pmla/ptm-update
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USER-PTM package update
2019-02-18 19:43:31 +01:00
9207b8814e
Merge pull request #1341 from rbberger/cmake_detect_changes
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Fixes part of issue #1278
2019-02-18 08:18:47 +01:00
f0a410aa96
replaced manual allocation with std::vector
2019-02-17 23:17:37 -05:00
f25b06fab0
Fixes part of issue #1278
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Moving a style header or touching it will now trigger a reconfiguration before
building, which triggers style files to be regenerated.
2019-02-17 20:53:21 -05:00
d5fd423496
silence compiler warnings
2019-02-16 13:52:40 -05:00
3a34c6f17a
use c++ style include files throughout
2019-02-16 13:42:38 -05:00
9168df575a
replace (evil) tabs with blanks
2019-02-16 13:41:04 -05:00
6724ebbdc1
remove trailing whitespace
2019-02-16 13:31:38 -05:00
551e7a5943
added contact address
2019-02-15 19:42:28 -05:00
bae2e61fa0
documentation bugfix
2019-02-15 19:40:37 -05:00
8a28046b4c
typo in PTM docs
2019-02-15 18:52:40 -05:00
35d2de298f
added license information to all files
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updated documentation
added example file
added graphene structure
2019-02-15 18:49:23 -05:00
978b716f18
Merge branch 'master' into kim-v2-update
2019-02-15 07:48:18 -05:00
c2725f5a49
forward build type setting to compiling downloaded KIM API
2019-02-15 03:53:09 -05:00
afa50ab61a
update pathspec when linking KIM API from downloaded archive
2019-02-15 02:21:07 -05:00
c193a9aee9
Updated Errors_messages.txt & false_positives.txt
2019-02-14 19:28:18 -06:00
a8cee136fe
Merge pull request #1338 from akohlmey/fix-bug-in-compute-reduce
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revert broken changes to compute reduce
2019-02-14 23:19:38 +01:00
e8d56d3ea6
revert broken changes to compute reduce
2019-02-14 16:22:52 -05:00
e95cf4e917
Some various doc updates for kim-api support
2019-02-14 13:38:28 -06:00
333154633b
Merge branch 'master' into kim-v2-update
2019-02-14 13:29:50 -06:00
c8f113f4a6
Merge pull request #1333 from jrgissing/bond/react-revert_bond_forming_behavior
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Bond/react: revert bond-forming reaction behavior
2019-02-14 18:24:49 +01:00
14667749c6
Merge pull request #1332 from jrgissing/bond/react-C++11-compliance
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make fix bond/react c++ standard compliant by eliminating variable length arrays.
2019-02-14 18:24:32 +01:00
d0ed6f2bf5
reflect changes to fix langevin also in the manual
2019-02-14 05:45:52 -05:00
8020f5b965
remove warning messages when using 'tally yes zero yes' with fix langevin
2019-02-14 18:54:59 +09:00
b3a7a534a9
make fix langevin correctly account for energy with 'zero yes'
2019-02-14 18:54:59 +09:00
0108855930
update .gitignore for the doc folder
2019-02-14 02:54:02 -05:00
d08979737c
bond/react:partially_revert_bonding_atom_choice
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choose closest eligible bonding partner, unless directly bonded (in which case we assume a bond-breaking reaction)
2019-02-13 22:56:56 -07:00
13f1c7d2d7
bond/react_VLA_compliance
2019-02-13 20:42:52 -07:00
b7ee3606db
Merge pull request #44 from lammps/master
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rebase
2019-02-13 20:01:34 -07:00
88b62fa6bd
add old style PDF build to "make old" target.
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this will create the old style Manual.pdf in the old folder and put Developer.pdf there, too.
2019-02-13 12:43:35 -05:00
34d4209197
Merge pull request #1331 from akohlmey/collected-small-changes
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Collected small changes
2019-02-13 16:47:27 +01:00
528e6632ed
OpenMP doesn't use "version #.#" with their specs, but just OpenMP #.#
2019-02-13 10:41:43 -05:00
eaf2ca9c84
Merge pull request #1272 from lammps/utility-functions
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Add library of utility functions to make LAMMPS code simpler and more consistent.
This is the first part of multiple pull requests that will add some more of these functions and will apply them to more of LAMMPS.
2019-02-13 16:30:46 +01:00
a645278d6b
Merge pull request #1325 from Adrian-Diaz/shrink_wrap_tiled
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Support shrink wrap boundary condition when reading data files with comm tiled enabled
2019-02-13 16:28:58 +01:00
9ac908f05f
switch download server for voro++ from LBL to download.lammps.org, which seems much more reliable
2019-02-13 09:53:20 -05:00
581b7d3543
update list of false positives after docs changes
2019-02-13 09:23:54 -05:00
8bed429ab7
reduce warnings due to signed/unsiged comparisons
2019-02-13 07:42:25 -05:00
393948f363
dead code removal and compiler warning silencing
2019-02-13 07:42:25 -05:00
cf86334f43
using int instead of size_t should be more efficient and range doesn't seem to be needed
2019-02-13 07:42:25 -05:00
76533b1572
remove dead code and silence compiler warnings in USER-YAFF package
2019-02-13 07:42:24 -05:00
38b003261d
silence compiler warnings about unused parameters in USER-OMP package
2019-02-13 07:42:24 -05:00
24ff914e5a
silence compiler warnings about unused parameters in the GPU package
2019-02-13 07:42:24 -05:00
d6200fde93
add one more OpenMP version string
2019-02-12 12:17:36 -05:00
82187eaac3
fix stupid typo
2019-02-12 11:34:26 -05:00
36ad48b259
add OpenMP version detection and info output
2019-02-12 11:28:52 -05:00
eb8a6512e2
rename and document script to automatically convert 'default(none)' to 'default(shared)' OpenMP pragmas
2019-02-12 09:44:19 -05:00
ac7d74f2a5
silence some more compiler warnings about unused arguments
2019-02-12 08:07:44 -05:00
