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
d8e8a0d2d2
More changes to pair granular:
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- tangential damping now set by scaling the normal damping
- some fixes to the twisting coefficients for the Marshall twist model
- progress (completion?) of doc page
2019-02-18 09:58:34 -07:00
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
a0450fbd2b
fix copy-n-modify error
2019-02-17 18:51:15 -05:00
7b47c82452
update global bonus data counters
2019-02-17 18:50:35 -05:00
07c1942b13
update global bonus data counters after deleting atoms
2019-02-17 17:14:45 -05:00
7d0c0bc984
make nlocal_bonus accessible
2019-02-17 17:14:01 -05:00
d890848412
add a check for consistent bonus data
2019-02-17 15:03:59 -05:00
09de4fb953
add support for checking consistency of atom bonus data
2019-02-17 15:01:13 -05:00
318dd34737
correct cut-n-paste error
2019-02-17 15:00:04 -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
