|
|
172f88a0d5
|
Merge pull request #3104 from ohenrich/cg-dna
CG-DNA unit test and performance enhancement
|
2022-02-01 18:30:13 -05:00 |
|
|
|
7ee7d0c570
|
apply clang-format
|
2022-01-30 17:18:40 -05:00 |
|
|
|
1d51f2d151
|
must not access invalid/uninitialized data
|
2022-01-28 16:57:58 -05:00 |
|
|
|
9b6bb00d07
|
Added unit test for atom_style oxdna
|
2022-01-26 19:20:34 +00:00 |
|
|
|
6bc8da05b9
|
reformat unittest tree with clang-format
|
2021-08-23 17:06:30 -04:00 |
|
|
|
5c46c6d3a6
|
update unit test for per-atom arrays and vectors
|
2021-08-18 22:51:09 -04:00 |
|
|
|
c50abed92b
|
recover compilation
|
2021-08-18 12:59:31 -04:00 |
|
|
|
2e6a0112d3
|
update URLs in some more files
|
2021-05-24 16:19:37 -04:00 |
|
|
|
a6efdf9b9f
|
Clean up molecule files creation
|
2021-04-19 15:14:01 -04:00 |
|
|
|
b6776ca3de
|
Remove GCC optimization pragma for GCC < 4.9 due to compiler segfault
|
2021-04-06 16:48:18 -04:00 |
|
|
|
66e885b6e5
|
Merge branch 'master' into collected-small-changes
# Conflicts:
# src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp
# src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp
|
2021-04-02 17:57:54 -04:00 |
|
|
|
eea2f45a95
|
force newton bond to be on since we don't support it to be off (yet)
|
2021-03-30 17:19:28 -04:00 |
|
|
|
aaf9aa6d69
|
Refactoring of more tests
|
2021-03-29 14:27:42 -04:00 |
|
|
|
487c55edf0
|
simplify and apply clang-format
|
2021-03-24 11:24:55 -04:00 |
|
|
|
6158802974
|
add support for testing per-atom properties with fix property/atom
|
2021-03-14 17:18:03 -04:00 |
|
|
|
21c3a51557
|
skip unsupported GCC pragma
|
2020-12-15 20:47:40 -05:00 |
|
|
|
569a000e6b
|
reformat unittest sources with clang-format
|
2020-11-25 16:51:41 -05:00 |
|
|
|
4a8c458634
|
Update comment
|
2020-11-13 17:21:41 -05:00 |
|
|
|
bfd71f330b
|
Simplify other AtomStyles tests
|
2020-11-13 17:03:52 -05:00 |
|
|
|
5d79ba12d7
|
Use macro for better message during failure
|
2020-11-13 15:14:40 -05:00 |
|
|
|
504e675023
|
Splitting up long test methods
|
2020-11-13 13:21:49 -05:00 |
|
|
|
e6c844d719
|
Simplify template and template_charge test cases
|
2020-11-13 13:11:16 -05:00 |
|
|
|
00557e00a4
|
Add AtomState struct and ASSERT helpers
|
2020-11-13 12:35:25 -05:00 |
|
|
|
26a8d875e9
|
whitespace fix
|
2020-10-29 14:52:22 -04:00 |
|
|
|
f2b9db0de4
|
update atom style tester to test replicate for atom style template
|
2020-10-29 06:21:54 -04:00 |
|
|
|
bf87c0dc56
|
add (incomplete) unit test for atom style template
|
2020-10-28 15:43:36 -04:00 |
|
|
|
adf74b3a22
|
use https://lammps.sandia.gov based URLs consistently
|
2020-10-21 16:45:30 -04:00 |
|
|
|
774bffe623
|
relax result precision requirement somewhat
|
2020-09-20 13:57:04 -04:00 |
|
|
|
f7a939dec2
|
update atom_style tester for new jacobi implementation
|
2020-09-16 10:25:03 -04:00 |
|
|
|
47b3039b28
|
update unit tests, too
|
2020-09-11 19:24:32 -04:00 |
|
|
|
f19ce32bf5
|
a few more small tweaks
|
2020-09-04 09:42:11 -04:00 |
|
|
|
458243604b
|
change atom style tests expand covered code paths: tiled vs. brick comm, orthogonal vs. triclinic. relax floating point check precision
|
2020-08-05 19:27:59 -04:00 |
|
|
|
ac08bcadf7
|
use bbox keyword on some replicate commands to increase code coverage
|
2020-08-05 18:49:05 -04:00 |
|
|
|
814e2e9aaf
|
turn off optimization for Clang compilers when compiling atom style tester
|
2020-07-30 23:41:24 -04:00 |
|
|
|
2fb0f95324
|
check against BODY package for body styles
|
2020-07-14 18:41:52 -04:00 |
|
|
|
ad818717cc
|
complete tester module for atom style body/nparticle
|
2020-07-14 18:36:50 -04:00 |
|
|
|
d3392dba45
|
update tester some more
|
2020-07-14 13:59:55 -04:00 |
|
|
|
fd2b5b1cd8
|
switch completed section from EXPECT to ASSERT
|
2020-07-14 12:45:54 -04:00 |
|
|
|
d6e6b840e9
|
update body/nparticle tester
|
2020-07-14 11:06:06 -04:00 |
|
|
|
18928c6602
|
start writing tester for body/nparticle
|
2020-07-14 08:11:18 -04:00 |
|
|
|
ea1d447703
|
fix bug in tester for atom style tri
|
2020-07-13 21:49:18 -04:00 |
|
|
|
00413ae956
|
add test for atom style tri
|
2020-07-12 16:32:59 -04:00 |
|
|
|
8f95b4a5d9
|
add tests for deleted bonds and angles to bond/angle tests suites
|
2020-07-12 15:48:21 -04:00 |
|
|
|
a28db101cc
|
add checks for atom style bond with newton off. add basic test for atom style angle
|
2020-07-10 17:44:05 -04:00 |
|
|
|
a402de41b7
|
finalize atom style tester changes
|
2020-07-10 10:47:30 -04:00 |
|
|
|
772d75a63a
|
update tester for renaming reset_ids to reset_atom_ids
|
2020-07-10 10:29:55 -04:00 |
|
|
|
df63d4147d
|
Merge branch 'reset-molecules' into write-bonus-data
|
2020-07-10 10:25:08 -04:00 |
|
|
|
8102045fdb
|
add initial implementation for atom style bond tester
|
2020-07-10 10:24:54 -04:00 |
|
|
|
ab683a03ad
|
start tester for atom style hybrid full ellipsoid
|
2020-07-10 00:12:57 -04:00 |
|
|
|
f71513f483
|
update for atom style ellipsoid tester
|
2020-07-09 11:56:07 -04:00 |
|
