1179beb543
Makefile build support for USER-ADIOS and build documentation
2019-02-20 14:42:28 -05:00
9c52a37546
PIMPL implementation of USER-ADIOS to hide internal data from style header file
2019-02-20 09:02:24 -05:00
200fed9d4c
Fix basic errors in USER-ADIOS code
2019-02-20 09:02:24 -05:00
8db88b1c02
Added initial untested ADIOS 2.x code with cmake building problems
2019-02-20 09:02:24 -05:00
4e26ca29f7
Changes to new generalized granular pair styles and fix wall/gran
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-Clean-up of unused variables in code
-Bug fix for single method of pair granular
-Changes to fix wall/gran to fix issues with JKR
-Doc page updates for fix wall/gran and fix wall/gran/region
2019-02-19 16:47:13 -07:00
ff795e761a
Added generalized granular option to fix wall/gran and fix wall/gran/region; some minor bug fixes for pair granular
2019-02-19 14:31:27 -07:00
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
f0a410aa96
replaced manual allocation with std::vector
2019-02-17 23:17:37 -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
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
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
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
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
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
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
b7413226e0
Several changes to new consolidated granular code:
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- Normal contact models take Young's modulus and Poisson's ratio (instead of Young's and shear modulus)
- Mixing of Young's moduli corrected
- Changes to cutoffs corrected for JKR pulloff distance
- Renamed 'mindlin' to 'linear_history'
- Progress on doc page
2019-02-11 21:37:06 -07:00
4b8621e7ef
Added additional tutorials for the dynamical matrix calculator
2019-02-11 19:46:22 -08:00
d2093fe8c2
fixing a version conflict for an if statement
2019-02-11 18:39:07 -07:00
39b6e0b7c8
allowing shrink wrap with comm tiled
2019-02-11 16:55:31 -05:00
b29d526632
Merge pull request #1323 from akohlmey/next-patch-release
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Patch release 8 February 2019
2019-02-08 21:43:39 +01:00
77c24f1b79
Merge branch 'master' into next-patch-release
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# Conflicts:
# .github/PULL_REQUEST_TEMPLATE.md
2019-02-08 15:34:40 -05:00
