d76569c033
Merge pull request #1320 from eofetis/manual-pdf-support
...
Add support for Sphinx+PDF+MathJax
2019-02-22 15:10:13 -05:00
e6df92e65a
Merge pull request #1011 from ellio167/kim-v2-update
...
KIM v2 update
2019-02-21 20:06:59 -05:00
e6a7c8b03b
Merge pull request #1335 from donatas-surblys/langevin-tally-zero
...
correct fix langevin with tally yes zero yes
2019-02-21 20:06:44 -05:00
b38033bc59
Fixed bug in lammps_scatter_atoms_subset...
...
- ids was ignored for the single-value integer arrays (e.g. type, id, ...)
2019-02-21 01:07:46 +01:00
3ad268739b
Add dump adios to PDF build. Update example config with better documentation
2019-02-20 17:02:48 -05:00
a5f20305d4
Add user-adios to PACKLIB and PACKEXT
2019-02-20 16:28:51 -05:00
2de01cef45
Dump atom/adios and dump custom/adios command notifications
2019-02-20 16:21:07 -05:00
1179beb543
Makefile build support for USER-ADIOS and build documentation
2019-02-20 14:42:28 -05:00
75fe967876
remove fluff about adios in CMakeLists.txt.
2019-02-20 09:02:24 -05:00
9c52a37546
PIMPL implementation of USER-ADIOS to hide internal data from style header file
2019-02-20 09:02:24 -05:00
a4b9542ba9
remove personal runconf file. cleanup ADIOS2 xml config file for example
2019-02-20 09:02:24 -05:00
410d79d8b7
Add an example for USER/adios based on the balance example
2019-02-20 09:02:24 -05:00
200fed9d4c
Fix basic errors in USER-ADIOS code
2019-02-20 09:02:24 -05:00
24234d3a0b
Fixed cmake build for ADIOS 2.x
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
...
-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
12bec9cbad
Merge pull request #1339 from pmla/ptm-update
...
USER-PTM package update
2019-02-18 19:43:31 +01:00
d8e8a0d2d2
More changes to pair granular:
...
- 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
...
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
...
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
...
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
...
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
...
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
...
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
