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
5dc09ae3c0
increase timeout, properly handle timeouts, and fix symbol lookup in exception handling
2020-10-27 17:16:47 -04:00
b931501711
add utils::path_dirname() to complement utils::path_basename()
2020-10-23 20:40:18 -04:00
c7a10050c2
Merge pull request #2439 from akohlmey/collected-small-changes
...
Collected small changes for the next release
2020-10-22 17:23:49 -04:00
a14b38ce21
avoid bell
2020-10-21 22:23:45 -04:00
bb32cbc223
add a few more tests for the lammps-shell
2020-10-21 22:07:38 -04:00
ac6f85f8be
make expansion of internal command unambiguous
2020-10-21 21:14:53 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
18091f15e0
Merge branch 'master' into collected-small-changes
2020-10-14 13:11:30 -04:00
2026636f72
overview description for the unit test folders
2020-10-13 22:00:10 -04:00
acbb54d35f
tweak testing and add at test run for history expansion
2020-10-13 21:32:48 -04:00
f003a6c536
implement a test prototype for the LAMMPS shell
2020-10-13 20:36:24 -04:00
8ab5f3c71a
adjust recently added/expanded tests so they skip tests when packages are missing
2020-10-13 15:42:21 -04:00
e23774ed56
include "pointers.h" to avoid include file name conflicts when compiling with USER-VTK enabled
2020-10-13 15:26:38 -04:00
ed885847a3
expose document and test more atom style property flags
2020-10-12 20:24:21 -04:00
24cec51e85
add tests for using python invoke and python style variables
2020-10-12 06:17:16 -04:00
6cda1e16ae
add test program template for testing the PYTHON package
2020-10-12 02:40:02 -04:00
471acb2ef8
add unit tests for added APIs
2020-10-09 07:16:34 -04:00
4f4bc427ae
implement LAMMPS_LIB_NO_MPI to LAMMPS_LIB_MPI change
2020-10-08 21:50:15 -04:00
9ea38c545d
update global properties tests
2020-10-06 22:43:42 -04:00
1ee9e4eabd
Merge branch 'master' into progguide-axel
2020-10-06 17:11:47 -04:00
80a054471d
Merge branch 'progguide-updates' into progguide-richard
2020-10-05 19:31:03 -04:00
22cca93603
Add tests for neighbor list API
2020-10-05 17:34:08 -04:00
6933233c56
add tests for the new library APIs
2020-10-05 13:43:11 -04:00
b57c8f6b77
Add tests for LAMMPS exceptions in Python
2020-10-02 16:53:41 -04:00
a9b27caf17
Merge branch 'master' into progguide-axel
2020-09-30 19:57:20 -04:00
c626208c80
avoid failure with Intel compilers
2020-09-27 19:05:58 -04:00
26ad664079
Avoid string duplication and remove memory leak
2020-09-25 13:44:28 -04:00
0951fea738
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
2020-09-20 19:20:42 -04:00
7d07d04989
Use correct library for unit test if LAMMPS_MACHINE_NAME is set
2020-09-20 17:52:24 -04:00
54b9e60dd0
reformat
2020-09-20 14:06:40 -04:00
774bffe623
relax result precision requirement somewhat
2020-09-20 13:57:04 -04:00
61ce73273b
Add missing -u flag for unbuffered PyLammps tests
...
Addresses issue #2380
2020-09-19 23:07:13 -04:00
67aeb7a5e5
Merge branch 'move-version-to-lammps' into collected-small-changes
2020-09-19 16:17:01 -04:00
9c0808e95a
update unit tests for move of version string location
2020-09-19 15:00:03 -04:00
6dda562501
skip over uninitialized and internal variables. correctly identify all kinds of boolean values
2020-09-18 23:40:31 -04:00
9cdde97863
correct test logic
2020-09-18 22:37:54 -04:00
e1397b9a88
Merge branch 'master' into collected-small-changes
2020-09-18 16:11:47 -04:00
1afb355d09
Limit int types to LAMMPS_INT and LAMMPS_INT64
...
Keep LAMMPS_TAGINT and LAMMPS_BIGINT internal to LAMMPS.
An external caller now only needs to distinguish between 32 and 64bit
integers, doubles and C strings.
2020-09-18 12:05:37 -04:00
ab6b69d6bd
Add documentation and better autodetect
2020-09-17 16:39:19 -04:00
c06d5f7fb7
Fix type cast
2020-09-17 16:37:25 -04:00
b81ad54baa
Simplify extract_atom and extract_global in Python interface
...
Both extract methods now can auto-detect the datatype of both global
and per-atom properties. Callers can still enforce different types
if needed by specifying the now optional dtype argument.
The numpy wrapper now has a new extract_atom function method, which
replace the extract_atom_darray and extract_atom_iarray method and
autodetects both type and size. All parameters can still be forced
to use different values if needed.
2020-09-17 16:16:27 -04:00
