65574be178
whitespace fixes
2020-08-05 17:52:16 -04:00
304d6876f4
a few bug fixes for support for multi and triclinic in CommTiled
2020-08-05 15:44:02 -06:00
8f84b6cbe6
Merge branch 'fix_typo_doc_dpd' of github.com:pdebuyl/lammps into collected-small-changes
2020-08-04 19:42:32 -04:00
d53fc62fb0
change fmtlib internal namespace from v7 to v7_lmp to avoid clashes when linking with other fmtlib variants
2020-08-04 19:18:44 -04:00
8558e9bd45
fix bug when applying floating point output formatting to integers
2020-08-04 19:10:19 -04:00
67a9856e0c
silence compiler warning when converting MAXBIGINT to a double
2020-08-04 19:07:53 -04:00
ae765f9d6e
Add missing KOKKOS_INLINE_FUNCTION
2020-08-04 17:03:54 -05:00
1a642d36ae
fix typo in the math of pair style dpd doc
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- missing closing backticks for math
- V fixed to v for relative velocity
2020-08-04 22:50:26 +02:00
0b6c7ba502
Add missing KOKKOS_INLINE_FUNCTION
2020-08-04 13:07:35 -05:00
7294936322
Add missing fmt license
2020-08-04 13:39:18 -04:00
c6f5640d48
Simplify #ifdef
2020-08-04 11:25:42 -06:00
2fe7be0d37
Reapply fmt patches for Intel compiler issues
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- work around issue of the Intel compiler disguising as clang on MacOS
- {fmt}: don't use [[gnu::fallthrough]] on intel compilers
2020-08-04 13:18:54 -04:00
63cbbf9605
Upgrade embedded fmt library to v7.0.2
2020-08-04 13:17:57 -04:00
ed566bf6af
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
18bc389339
print warning, when mixed pair coeffs were set explicitly but are not written in data file
2020-08-04 07:18:48 -04:00
e860779fa0
formatting update
2020-08-04 07:17:28 -04:00
357716ec4c
correctly check of mu and torque flags as those data structures are always accessed.
2020-08-04 07:17:12 -04:00
f9539f9ca6
remove unused code
2020-08-04 07:08:55 -04:00
f895904d2c
Merge branch 'pair-tests-aug4' of github.com:abhiShandy/lammps into pair-tests-aug4
2020-08-04 02:18:06 -04:00
5592bac69c
Merge branch 'bond-styles-Aug4' into pair-tests-aug4
2020-08-04 02:17:06 -04:00
59c5a62a00
Merge branch 'angle-tests-Aug4' into pair-tests-aug4
2020-08-04 02:16:57 -04:00
feadfaf9be
unit tests for angle-class2/p6, angle-cross and angle-mm3
2020-08-04 02:15:11 -04:00
eed7113506
tests for fene, fene/expand
2020-08-04 01:57:23 -04:00
f407db6198
add test for lj/cut/tip4p/cut
2020-08-04 00:11:14 -04:00
b217375744
add tests with AD instead of IK
2020-08-03 23:45:46 -04:00
83519290e7
add kspace tests with slab correction and pppm/stagger
2020-08-03 23:31:32 -04:00
ef8b619840
fix missing support for nozforce in ewald/omp
2020-08-03 23:21:54 -04:00
4e46c0aef4
add missing born/coul/long variant using tabulation
2020-08-03 23:02:29 -04:00
c2ed040529
simplify
2020-08-03 22:49:21 -04:00
89d85436f1
update reference data for triclinic case
2020-08-03 22:42:18 -04:00
f4aede49dc
Merge branch 'master' into multi-comm-tiled
2020-08-03 22:37:23 -04:00
ea900b3482
add test input template for tiled with triclinic and multi-cutoff
2020-08-03 22:17:04 -04:00
d89a047461
Simplify write data code
2020-08-03 22:08:06 -04:00
6bc65dc14c
reference typos in doc
2020-08-03 20:49:02 -04:00
a921c44a4f
fix bug in writing data
2020-08-03 20:48:37 -04:00
de828fceaf
test for cosine/squared
2020-08-03 20:48:11 -04:00
0db1c66b03
triclinic compatibility
2020-08-03 20:16:20 -04:00
33aa96b1bf
test for buck/mdf, fixed bug in broadcasting inner cutoff, typos in doc
2020-08-03 20:07:24 -04:00
6576c4cbf3
Merge pull request #2260 from akohlmey/collected-small-changes
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Collected small changes
2020-08-03 18:02:17 -04:00
ca7039aa96
Merge pull request #2271 from abhiShandy/pair-tests-Aug3
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Unit tests for born/coul, ufm, yukawa, soft
2020-08-03 17:23:22 -04:00
9cd0a52c44
Remove old comment
2020-08-03 16:58:56 -04:00
4126ba24c1
Move timespec2seconds to utils
2020-08-03 16:54:53 -04:00
436951fb34
Merge pull request #2270 from akohlmey/check-test-coverage
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Add utility to check for missing force style tests
2020-08-03 16:47:49 -04:00
851a22802e
add tests for pair style colloid in variants in several neighbor list and comm variants
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this does 3 tests:
- regular neighborlist binning with single cutoff communication
- comm style brick with multi-cutoff neighborlists and communication
- comm style tiled with multi-cutoff neighborlists and communication
2020-08-03 16:16:56 -04:00
6dcd962718
fix indentation and whitespace
2020-08-03 16:09:11 -04:00
a6b3ee7a07
fix bugs in comm style tiled with multi-cutoff
2020-08-03 16:08:13 -04:00
7ed748118e
add exception for single test for colloid pair style
2020-08-03 16:07:32 -04:00
8d406403bb
fix typo in manual
2020-08-03 16:07:06 -04:00
d0be219419
Refactor check-styles.py
2020-08-03 14:26:55 -04:00
9db3004d0c
Merge branch 'master' into multi-comm-tiled
2020-08-03 14:08:53 -04:00
