80f95e5087
step version strings for next patch release
2021-09-13 07:33:34 -04:00
0dd35bdb66
Merge pull request #2935 from akohlmey/python-module-fixes-and-tests
...
Python module fixes and tests
2021-09-09 23:31:16 -04:00
b535e58e16
Merge pull request #2929 from stanmoore1/kk_gridcomm
...
Recover Kokkos compilation
2021-09-09 23:30:41 -04:00
551810d388
Merge pull request #2928 from wouterel/enable-dyngroups-fixbondcreate
...
Enable dynamic groups for fix bond/create
2021-09-09 23:27:55 -04:00
3fd4bd1fcd
Merge branch 'python-module-fixes-and-tests' of github.com:akohlmey/lammps into python-module-fixes-and-tests
2021-09-09 23:05:48 -04:00
6ef8c12457
whitespace
2021-09-09 23:05:30 -04:00
e2b44e89a7
Merge pull request #2927 from akohlmey/docs-update
...
Update documentation for the stable release
2021-09-09 23:03:12 -04:00
d09851e695
Improve MPI support in PyLammps
2021-09-09 21:47:08 -04:00
7b1e951916
add unit test for checking properties parsed from info command output
2021-09-09 21:13:09 -04:00
4eeb90d135
fix PyLammps parser issue with parsing info command output
2021-09-09 21:12:28 -04:00
390f9eff39
Merge branch 'master' into kk_gridcomm
2021-09-09 19:17:55 -04:00
150a695b8c
Merge pull request #2925 from akohlmey/collected-small-changes
...
Collected small changes
2021-09-09 19:03:20 -04:00
a954ddac5a
add missing "private"
2021-09-09 18:03:17 -04:00
4e92c68244
allow skipping fix timestep tests when LAMMPS was compiled for static libs
2021-09-08 23:41:31 -04:00
8c3924352d
only check for meminfo[2] on platforms we know to be supported
2021-09-08 23:02:56 -04:00
6bad470dd5
avoid namespace clash in mini-regex library
2021-09-08 20:39:41 -04:00
bc7dfbed3c
add missing #if
2021-09-08 20:00:39 -04:00
9cdb83a24d
support utils::guesspath() also on Windows
2021-09-08 18:17:14 -04:00
40f861097c
Recover Kokkos compilation
2021-09-08 14:41:51 -06:00
b87a48e40b
re-apply clang-format
2021-09-08 15:42:15 -04:00
04748779fd
tweak epsilon for portability to FreeBSD
2021-09-08 15:41:43 -04:00
cfa94dfbaf
add support for utils::guesspath() on macos
2021-09-08 15:14:06 -04:00
22f295ffd8
Prevent buffer overflow in TextFileReader::next_dvector()
2021-09-08 10:52:42 -04:00
ebcf0bd6a1
Enable dyanmic groups for fix bond/create
2021-09-08 11:54:50 +02:00
c1dbc110d9
cosmetic changes for consistency
2021-09-07 19:12:59 -04:00
36eb2e30df
correct URL
2021-09-07 19:12:27 -04:00
a4735628f9
document flags that were missing in the man page and the help message
2021-09-07 19:11:51 -04:00
ad39aa85ab
update style guide and requirements/suggestions for contributions
2021-09-07 19:09:35 -04:00
194a42b7a5
use more reasonable install prefix when compiling natively on Windows
2021-09-07 15:05:17 -04:00
55a802afe3
Merge remote-tracking branch 'github/master' into collected-small-changes
2021-09-07 14:20:53 -04:00
9c50420c14
apply clang-format
2021-09-07 14:20:26 -04:00
19e6a9e0d8
Merge pull request #2924 from ohenrich/cg-dna
...
CG-DNA: Documentation Update
2021-09-07 14:12:07 -04:00
9bc8e0998e
must use Python3 version of imported target
2021-09-07 13:34:07 -04:00
909376b14b
Merge branch 'master' into collected-small-changes
2021-09-07 13:32:21 -04:00
b0fa666de4
Merge pull request #2923 from akohlmey/python-finalize-take2
...
Treat calling Py_Finalize() more like MPI_Finalize() and avoid crashes
2021-09-07 11:57:20 -04:00
e070766915
including lmpwindows.h globally from lmptype.h does more harm than good
...
this addresses some (cross) compilation issues locally.
in the long run, this should be addressed by implementing issue #1884
where platform specific functionality is wrapped into a small library
of generic functions adapted for LAMMPS' needs (like utils:: does for
non-portable convenience functions).
2021-09-07 10:39:16 -04:00
3f83c8397d
windows needs io.h for _isatty()
2021-09-07 10:21:00 -04:00
ea34571da1
avoid 32-bit integer overflow
2021-09-07 01:12:24 -04:00
68c842ca84
workaround for MSVC insanity
2021-09-07 00:59:51 -04:00
b2ee7fa3a3
remove stuff that is incompatible with recent MSVC compilers
2021-09-07 00:59:16 -04:00
f5259f0081
correct non-portable code
2021-09-07 00:58:16 -04:00
9a8a4a111f
include utils::binary_search in docs
2021-09-06 18:16:07 -04:00
29505404bc
add unit test for checking the impact of lammps_python_finalize()
2021-09-06 17:42:18 -04:00
63a2882127
apply clang-format
2021-09-06 17:01:22 -04:00
898f8086db
consolidate binary() member functions of Comm and Balance into utils::binary_search()
2021-09-06 16:58:14 -04:00
bb0188ac1a
Corrected linking errors
2021-09-06 13:29:40 +01:00
57cea77fe9
Updated online docu
2021-09-06 11:38:21 +01:00
b132a7eb3a
Updated docu to new oxdna atom_style
2021-09-06 09:47:46 +01:00
805b15f5c4
apply clang-format
2021-09-04 14:19:51 -04:00
e2d8fd58fa
apply clang-format
2021-09-04 14:01:24 -04:00
