af203f7fc7
added run_torque and EXPECT_TORQUES
2024-08-04 22:40:36 -04:00
3c4b0a0c04
expand homepage checker tool to check a few more folders and apply updates
2022-10-24 10:58:39 -04:00
234b9f180a
use clang-tidy and clang-format to update/modernize/simplify code
2022-05-31 14:46:57 -04:00
7ee7d0c570
apply clang-format
2022-01-30 17:18:40 -05:00
4ac351eba6
Add tags to force-style tests
...
Adds an optional "tags" entry in the force style test YAML. This is a
comma-separated list of keywords, which are parsed by CMake and added as labels
for CTest. This allows more fine-grained filtering of tests. Any
newly-generated YAML file automatically adds the "generated" tag.
2021-11-19 09:23:31 -05:00
85433e8bd1
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
d857685e74
use emplace_back() instead of push_back()
2021-10-14 01:31:48 -04:00
6bc8da05b9
reformat unittest tree with clang-format
2021-08-23 17:06:30 -04:00
2e6a0112d3
update URLs in some more files
2021-05-24 16:19:37 -04:00
190a689354
Merge branch 'master' into gpu-unittest
...
# Conflicts:
# unittest/force-styles/test_pair_style.cpp
# unittest/force-styles/tests/angle-cosine_periodic.yaml
# unittest/force-styles/tests/mol-pair-born.yaml
# unittest/force-styles/tests/mol-pair-born_coul_dsf.yaml
# unittest/force-styles/tests/mol-pair-born_coul_long.yaml
# unittest/force-styles/tests/mol-pair-born_coul_msm.yaml
# unittest/force-styles/tests/mol-pair-born_coul_msm_table.yaml
# unittest/force-styles/tests/mol-pair-born_coul_wolf.yaml
# unittest/force-styles/tests/mol-pair-morse.yaml
# unittest/force-styles/tests/mol-pair-morse_smooth_linear.yaml
2021-04-06 14:45:06 -04:00
487c55edf0
simplify and apply clang-format
2021-03-24 11:24:55 -04:00
74713be4a2
add new key to YAML files: skip_tests
2021-03-01 19:27:11 -05:00
c45658f1c7
Merge branch 'master' into improper-tester
2021-02-24 17:08:34 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
051ab1f5c2
add test for dihedral style
2020-08-14 23:21:30 -04:00
a65c672afc
add tests for all improper styles except hybrid
2020-08-14 23:10:35 -04:00
88f89c8f14
correctly read entire vector
2020-08-09 01:27:56 -04:00
2edad432ce
add support for storing a global scalar and global vector
2020-08-09 00:03:43 -04:00
faac18ffd2
add tester tool for timestep related fixes: integrators, thermostats, force manipulations, constraints
2020-08-08 22:54:17 -04:00
9c3d108bbc
enable aligning consecutive assignments
2020-06-13 02:05:13 -04:00
3db944decc
apply clang-format settings to the c++ sources in the unittest tree
2020-06-13 01:54:58 -04:00
1042e16423
change format for equilibrium values and update writer and reader code, so it will become compatible with class2 angles/dihedrals/impropers
2020-05-30 17:50:38 -04:00
99c0c1ace1
simplify parsing of equilibrium data
2020-05-29 08:22:34 -04:00
7d62fd5106
remove debug code
2020-05-29 08:22:23 -04:00
797ba373c4
simplify reading key/value pairs from string
2020-05-28 22:38:23 -04:00
47e4da4903
add support for writing/reading equilibrium bond/angle data
2020-05-28 22:20:43 -04:00
5533b9233f
Fix indentation
2020-05-20 02:48:02 -04:00
ad6ae7317e
Use std::make_pair
2020-05-20 02:45:16 -04:00
73e766b933
Remove another unneeded class
2020-05-20 01:30:34 -04:00
50d4cf210c
Remove unnecessary classes
2020-05-19 23:37:11 -04:00
c04a71a239
add unit test framework for pair, bond, angle styles from progguide branch
2020-05-19 22:24:31 -04:00
