|
|
448bccd138
|
tweak test epsilons so they pass with -DLAMMPS_BIGBIG
|
2020-06-07 22:20:46 -04:00 |
|
|
|
2fd3d21414
|
add tests for pair style table
|
2020-06-02 17:12:52 -04:00 |
|
|
|
7ebad52727
|
add tests for a bunch of coulomb only pair styles
|
2020-05-31 09:26:54 -04:00 |
|
|
|
64b684eec3
|
add tests for a whole bunch of CHARMM pair styles
|
2020-05-31 08:34:25 -04:00 |
|
|
|
eb60b049fc
|
add endpoint gradients for two bond tables
|
2020-05-30 21:49:42 -04:00 |
|
|
|
91272e7654
|
output endpoint gradient for some angle tabulations
|
2020-05-30 21:36:47 -04:00 |
|
|
|
0f6e963058
|
add a whole bunch of angle style tests
|
2020-05-30 21:10:48 -04:00 |
|
|
|
69ba5ea9f0
|
use a smaller bond table
|
2020-05-30 21:05:03 -04:00 |
|
|
|
bd4d4bc015
|
update bond/angle yaml files for changed equilibrium keyword syntax
|
2020-05-30 17:51:29 -04:00 |
|
|
|
07163a710a
|
correct bond table coefficients to find the table file
|
2020-05-30 17:22:33 -04:00 |
|
|
|
e32409d32c
|
add tests for most bond styles except FENE type bonds
|
2020-05-30 10:44:40 -04:00 |
|
|
|
1ec179e80a
|
add a few more test inputs
|
2020-05-29 23:47:15 -04:00 |
|
|
|
08ee1cb4fa
|
add single test to angle_style, add support for equilibrium data
|
2020-05-28 22:38:07 -04:00 |
|
|
|
9fc6abb2ef
|
add tests for pair style polymorphic
|
2020-05-28 20:43:26 -04:00 |
|
|
|
d3e160f3d0
|
tweak epsilon for gcc 10
|
2020-05-28 10:00:13 -04:00 |
|
|
|
51c632acd4
|
increase code coverage for pair_eam_cd.cpp
|
2020-05-28 06:25:35 -04:00 |
|
|
|
e0ee0986fd
|
tweak pair style bop unit tests to increase code coverage
|
2020-05-28 06:20:22 -04:00 |
|
|
|
013756bfa7
|
add tests for AIREBO/REBO family of potentials
|
2020-05-27 16:37:36 -04:00 |
|
|
|
bb57e90a27
|
add test for tabulated manybody styles
|
2020-05-27 12:31:19 -04:00 |
|
|
|
efbf9807d1
|
tests for MANYBODY almost complete
|
2020-05-27 10:59:12 -04:00 |
|
|
|
b5b66d0e78
|
tweak bop test to run faster
|
2020-05-27 08:50:20 -04:00 |
|
|
|
51e3cba0ba
|
tweak error margins to pass with gcc 9.x plus Release setting
|
2020-05-27 06:59:58 -04:00 |
|
|
|
66e34f541c
|
four more
|
2020-05-27 06:43:37 -04:00 |
|
|
|
29bd22a7ea
|
add tests for eam/cd and eim
|
2020-05-26 21:08:39 -04:00 |
|
|
|
541ab46e97
|
add tests for comb and comb3
|
2020-05-26 19:58:24 -04:00 |
|
|
|
151d1fb42b
|
cosmetic updates
|
2020-05-26 19:55:54 -04:00 |
|
|
|
c91cad5155
|
add test for bop
|
2020-05-26 18:36:33 -04:00 |
|
|
|
dff78c19aa
|
add tests for pair styles adp, atm, sw and tersoff and new data/input
|
2020-05-26 18:22:21 -04:00 |
|
|
|
b8544de37b
|
tweak error margin
|
2020-05-21 01:30:04 -04:00 |
|
|
|
c04a71a239
|
add unit test framework for pair, bond, angle styles from progguide branch
|
2020-05-19 22:24:31 -04:00 |
|
