9de5c9fc98
correct homepage URLs
2021-06-12 21:33:01 -04:00
4522b16721
use floating point function
2021-06-12 21:29:20 -04:00
110fcf70f9
correct mismatched new type[] / delete
2021-06-12 21:29:06 -04:00
5b91fd8193
whitespace
2021-06-12 21:24:26 -04:00
a9bf1a4372
apply clang-format
2021-06-12 21:24:16 -04:00
87ea63266b
fix a few formatting issues, silence compiler warnings, remove dead code
2021-06-12 21:20:28 -04:00
55c2d51476
better support for newer compilers. prefer flang with clang
2021-06-12 21:19:05 -04:00
34608aba9b
update
2021-06-12 15:06:10 -07:00
6acb767847
update
2021-06-12 14:53:35 -07:00
f2ee71284f
update
2021-06-12 13:23:02 -07:00
7f261a2801
update
2021-06-12 10:36:37 -07:00
c6d950d35e
update googletest
2021-06-12 13:10:56 -04:00
51994c8c65
update
2021-06-12 01:02:31 -07:00
263d92eff5
whitespace
2021-06-11 16:30:01 -04:00
e1cfb95f54
update CODEOWNERS
2021-06-11 16:28:05 -04:00
a23f56a4f0
silence compiler warnings, remove dead code and fix bugs
2021-06-11 16:26:34 -04:00
4a2d32ff6d
remove dead code
2021-06-11 15:11:01 -04:00
431ab35732
whitespace
2021-06-11 15:10:53 -04:00
5da4d78308
Merge branch 'master' into fabric
2021-06-11 15:10:20 -04:00
a474754b33
Update pair_mliap.cpp
2021-06-11 10:54:09 -07:00
f14a4377ce
spelling
2021-06-10 23:16:44 -04:00
fe0422d042
whitespace
2021-06-10 23:16:44 -04:00
ae3a4dbf0d
apply clang-format
2021-06-10 23:16:43 -04:00
59b83a6f27
simplify
2021-06-10 23:16:31 -04:00
406d2c4eb2
typo in compute_fabric.cpp
2021-06-10 15:18:55 -06:00
c9d38b7b6d
Mention contact number in documentation
2021-06-10 15:16:15 -06:00
06ff2f897a
Fixing typos in documentation and comments
2021-06-10 14:08:19 -06:00
7dda30a198
Adding type filter
2021-06-10 11:40:09 -06:00
e64ec4647a
Delete dump.myforce.3
2021-06-09 20:45:06 -07:00
06aa6b737e
Delete dump.myforce.2
2021-06-09 20:44:56 -07:00
399de7dbf8
Delete dump.myforce.1
2021-06-09 20:44:45 -07:00
b4e9e99067
Delete dump.myforce.0
2021-06-09 20:44:32 -07:00
72ae091aa6
Merge remote-tracking branch 'upstream/master' into mliap_so3_ver2
...
To have a fetch
2021-06-09 20:31:46 -07:00
75fd4e9eec
update
2021-06-09 16:59:59 -07:00
b1f8740204
update
2021-06-09 16:55:11 -07:00
1e5e08fc1b
Merge pull request #2793 from ndtrung81/user-dielectric
...
Contributing a new package USER-DIELECTRIC
2021-06-08 20:07:36 -04:00
41bdf0f398
address spelling issues and update list of false positives
2021-06-08 18:46:48 -04:00
832ae2c049
Merge branch 'master' into user-dielectric
2021-06-08 17:11:37 -04:00
9944bbe61e
Merge pull request #2786 from akohlmey/collected-small-changes
...
Collected small changes
2021-06-08 14:08:28 -04:00
b8236c6402
improve error messages by printing unrecognized property
2021-06-08 11:19:21 -04:00
a32e682697
error exit if driver sends number of atoms. add comment why.
2021-06-08 10:38:28 -04:00
337527282d
Added the documentation for atom style dielectric and for compute efield/atom
2021-06-07 16:36:45 -05:00
ffd1b2bfa9
fix compilation issue
2021-06-07 11:48:13 -04:00
7322066dde
use alternate approach for dealing with Package style dependency issues
2021-06-06 18:39:19 -04:00
8b0a063059
must not test for bonded interactions without MOLECULE package
2021-06-06 18:37:14 -04:00
0ee6cf798c
include cythonize for building MLIAP with Python support
2021-06-06 18:25:47 -04:00
b524a0b819
correctly remove dependent sources for fix QEQ
2021-06-06 18:25:16 -04:00
0bc86a7eea
modernize and reformat code
2021-06-05 21:43:38 -04:00
f7ca10b070
update documentation towards more complete integration
...
this includes the following steps:
- added missing sections about the packages (incomplete)
- added missing files for the pair styles and the compute (incomplete)
- merge fix doc files into a single file (incomplete)
- link to added styles from Commands overvies and style lists (incomplete)
major part that is missing is the documentation of the atom style and
the description of the file format in the read_data docs.
there should probably also additions to the `set` command to set those
properties from input scripts.
2021-06-05 21:00:35 -04:00
5e675e6eff
bugfix for library unit test due to CMake package changes
2021-06-05 19:19:14 -04:00
