bc9436a04f
add support for computes and fixes
2020-01-11 19:58:31 -05:00
4a58d356b0
Merge branch 'post-patch-tweaks' into doc-styles-check
2020-01-11 19:43:42 -05:00
05b68d9e0d
add missing pair style entries
2020-01-11 19:43:29 -05:00
019c70140f
add and correct kspace style entries
2020-01-11 19:43:18 -05:00
7ea366b3ce
fix formatting issue
2020-01-11 19:42:40 -05:00
1d838dad19
add checking of kspace styles
2020-01-11 19:41:59 -05:00
555f9b3450
Merge branch 'post-patch-tweaks' into doc-styles-check
2020-01-11 19:16:44 -05:00
ff7110028b
make doc of pair style mm3/switch3/coulgauss/long consistent and complete
2020-01-11 19:16:34 -05:00
66296616ae
handle removed styles on bonded command table
2020-01-11 19:10:21 -05:00
8f9c3a3a9c
Merge branch 'post-patch-tweaks' into doc-styles-check
2020-01-11 19:04:38 -05:00
84a975439a
clean up pair style command overview some
2020-01-11 19:04:02 -05:00
f713e9acc3
add missing bond style
2020-01-11 19:03:20 -05:00
297d31ab8f
clean up and update general command overview
2020-01-11 19:02:49 -05:00
a38cf075db
add checks for global commands, pair and bonded styles
2020-01-11 18:53:09 -05:00
00a31f6637
Merge branch 'master' into doc-styles-check
2020-01-11 17:05:16 -05:00
d7d1d57170
remove outdated txt files
2020-01-11 16:35:27 -05:00
e1849232b8
remove redundant lj/cut/tip4p/long/gpu entry and correct underline length
2020-01-11 16:21:42 -05:00
9c207bb751
remove outdated .txt file for pair style meam/c
2020-01-11 16:20:13 -05:00
d1222bd3c0
minor omissions in recent patch release
2020-01-09 17:38:50 -07:00
a3fd7345a7
Merge branch 'master' into next_patch_version
2020-01-08 17:20:36 -05:00
6e2c3b7ce9
Merge branch 'master' into collected-small-fixes
2020-01-08 16:14:19 -05:00
481c647889
Merge pull request #1776 from Vsevak/tip4p_gpu
...
GPU support for lj/cut/tip4p/long pair style
2020-01-08 15:35:39 -05:00
7051c941e5
Merge branch 'master' into collected-small-fixes
2020-01-08 15:05:03 -05:00
e243ca92b0
step version string for next patch release
2020-01-08 14:31:08 -05:00
8ac2da792c
fix typo in fix ave/atom docs
2020-01-06 16:18:23 -05:00
0dda120ef8
Merge pull request #1800 from jibril-b-coulibaly/patch-1
...
Correct typo in pair_granular.rst
2020-01-06 15:35:36 -05:00
1be8109618
Merge pull request #1798 from martok/meamc-dec19
...
Collected MEAM/C additions
2020-01-06 15:07:08 -05:00
402f5585ff
Merge pull request #1795 from jrgissing/bond/react-chiral_centers
...
Bond/react chiral centers
2019-12-19 16:13:32 -05:00
1be9364a89
MEAM/C: document new reference structures
2019-12-17 21:55:38 +01:00
8030ff255d
Merge pull request #1794 from yafshar/master
...
Certificate Verification
2019-12-12 13:24:21 -07:00
b0d0037f50
Certificate Verification
...
if SSL report an error ("certificate verify failed") during the
handshake and thus refuses further communication with that server,
you can specify your own CA cert path by setting the environment
variable CURL_CA_BUNDLE to the path of your choice.
2019-12-12 12:57:34 -06:00
96f75c7b67
Merge pull request #1802 from rbberger/small-fixes
...
Collection of small fixes
2019-12-12 09:36:53 -07:00
bde8b57f0b
Update fix_bond_react.rst
2019-12-11 23:10:11 -07:00
e0a771d5cb
Remove outdated package.txt
2019-12-10 13:46:30 -05:00
fba97b94cb
Don't change comm flags when there is only 1 MPI rank
2019-12-10 10:10:12 -07:00
2d4d07521d
Add false positives to spell check
2019-12-06 14:43:19 -05:00
e68824a392
Merge pull request #1772 from ohenrich/user-cgdna
...
USER-CGDNA oxRNA2 Implementation
2019-12-06 12:23:47 -07:00
f6bdf5662e
Update pair_granular.rst
...
Correct formula for tangent stiffness, consistent with `PairGranular::mix_stiffnessG()`
2019-12-06 10:40:04 -06:00
e08ba3f11e
Merge branch 'master' into library_interface_update
2019-12-03 12:51:17 -05:00
ce05ed4cca
MEAM/C: infer z parameter from lattice structure, eliminates possible user mistakes
2019-12-03 18:06:34 +01:00
e69e96ffbe
Update Errors_messages.rst
2019-12-02 15:20:01 -05:00
28fda04526
chiral centers docs
2019-12-02 15:11:59 -05:00
73a4c58ba1
Merge branch 'master' into doc_command_tables
2019-12-01 15:40:52 -05:00
3ce020eab2
Merge pull request #1779 from athomps/compute-snap
...
Compute snap
2019-12-01 12:52:22 -07:00
acf02bb1a3
Revert split of Commands_bond.rst as requested by @sjplimp
2019-12-01 14:50:29 -05:00
3611a75ce0
Merge pull request #1771 from julient31/zeeman-rework
...
Adding test examples for the SPIN package and correcting some bugs
2019-12-01 09:10:25 -07:00
e64b395f5d
Merge branch 'master' into user-cgdna
2019-11-29 09:11:04 +00:00
8677bdda5c
Merge branch 'master' into user-cgdna
2019-11-27 15:57:56 -05:00
5c93b6ad6f
Update docs: compute_spin, fix_precession_spin, pair_spin_exchange, pair_spin_neel
2019-11-27 15:17:11 -05:00
1f83c7d037
Commit JT 112719
...
- correcting 'neighbours' in doc
- modifying README is src/SPIN
2019-11-27 06:26:34 -07:00
