45191e9f7c
Refactor and add fix python/invoke tests
2021-03-24 16:33:39 -04:00
1c9c46d2c1
Add tests to cover python command
2021-03-24 15:42:38 -04:00
9d3e37b102
Add more python variable tests
2021-03-24 12:43:47 -04:00
8790ecc141
Refactor existing tests
2021-03-24 11:18:21 -04:00
23c8d8ccfb
Use HasSubstr since output order is dependent on buffering
2021-03-23 20:13:39 -04:00
359a369573
Ensure that global Py_UnbufferedStdioFlag is set when PYTHONUNBUFFERED=1
2021-03-23 19:57:45 -04:00
6b24006d43
Use Info::has_package to check for PYTHON support
2021-03-23 19:56:18 -04:00
180e816886
Simplify PythonPackage tests
2021-03-23 19:55:08 -04:00
4c0efceb1e
Remove invalid thermo accesses
2021-03-18 14:26:52 -04:00
728b4801fd
Use other example for thermo_style multi test
2021-03-08 18:15:43 -05:00
f92089298d
Fix bug in AvgChunkReader and add docs
2021-02-25 16:56:19 -05:00
977ba9ff66
Add LogFile and AvgChunkFile readers
...
Implements changes proposed in #144
2021-02-25 15:32:53 -05:00
0c34810518
lmp.mpi4py will always be false if LAMMPS has been compiled without MPI support
2021-02-17 15:29:33 -05:00
01a05b88b4
avoid memory leak in unit test fixture
2021-02-08 10:43:18 -05:00
95b445a25a
must initialized has_exceptions to avoid false positives in unit tests
2021-01-29 18:38:33 -05:00
a2d7d47cac
add unittest for python interface of accelerator config introspection
2021-01-16 17:12:29 -05:00
fec52f6a48
make CMake script formatting more consistent
2020-12-29 10:40:39 -05:00
79833f9b83
Merge pull request #2521 from rbberger/python_package
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Turn LAMMPS Python module into Python package
2020-12-17 17:06:03 -05:00
162d34d168
Update Python coverage tests
2020-12-15 17:58:41 -05:00
2a763d1713
PythonCommands test fails without exceptions enabled
2020-12-15 15:00:31 -05:00
91f21fcd9e
Merge pull request #2487 from akohlmey/collected-small-changes
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Collected small changes and fixes
2020-11-30 11:36:23 -05:00
569a000e6b
reformat unittest sources with clang-format
2020-11-25 16:51:41 -05:00
7aa45ea816
Add numpy variants of extract_variable tests
2020-11-23 14:14:29 -05:00
ebf3c180c2
Add unit test for extract_global (LAMMPS_DOUBLE)
2020-11-23 13:43:15 -05:00
2ce10cc435
Add unit test for get_thermo
2020-11-23 13:35:17 -05:00
3ddc1e680c
Add unit test for extract_variable (atomstyle)
2020-11-23 13:14:15 -05:00
5ff0c3d4f0
Add unit test for extract_variable (equalstyle)
2020-11-23 13:07:00 -05:00
d5169a9dc2
Add Python unit tests for extract_box and reset_box
2020-11-12 12:29:13 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
8ab5f3c71a
adjust recently added/expanded tests so they skip tests when packages are missing
2020-10-13 15:42:21 -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
22cca93603
Add tests for neighbor list API
2020-10-05 17:34:08 -04:00
b57c8f6b77
Add tests for LAMMPS exceptions in Python
2020-10-02 16:53:41 -04:00
7d07d04989
Use correct library for unit test if LAMMPS_MACHINE_NAME is set
2020-09-20 17:52:24 -04:00
61ce73273b
Add missing -u flag for unbuffered PyLammps tests
...
Addresses issue #2380
2020-09-19 23:07:13 -04:00
6dda562501
skip over uninitialized and internal variables. correctly identify all kinds of boolean values
2020-09-18 23:40:31 -04:00
ab6b69d6bd
Add documentation and better autodetect
2020-09-17 16:39:19 -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
9fa43b8b12
Skip Numpy tests if not installed
2020-09-17 12:03:36 -04:00
5dacfc47ca
Change return type of lammps.get_natoms to int
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Closes PR #2370
2020-09-17 10:57:49 -04:00
12582edfb7
Add numpy.extract_atom_darray test
2020-09-16 18:04:45 -04:00
ccc743e13e
Add test for thermo data
2020-09-16 15:14:05 -04:00
8ccd3c03fa
Correct test name
2020-09-16 12:54:36 -04:00
2270d8f4ec
Add PyLammps.atoms test and fix bug with -echo screen/both
2020-09-16 12:48:20 -04:00
9cdd35e625
Make sure Python tests run unbuffered so PyLammps works
2020-09-16 11:28:38 -04:00
ca24806f4c
Add tests
2020-09-16 10:11:00 -04:00
e5e449795a
Add tests for has_style and available_styles
2020-09-15 15:16:19 -04:00
77d475d121
Add more tests
2020-09-11 15:48:23 -04:00
