Nathan Baker 997298f1f0 Loosen error tolerance in test. ...

The PROPKA31 tests fail on Windows 10 Ubuntu 18.04 Windows Subsystem
Linux without any changes.  The relative error is less than 1e-3.  This
commit chnages the behavior to a test of absolute agreement to a test of
relative error less than 1e-3.

2020-05-10 18:29:51 -07:00

..

pdb

Output performed with loggers. Adds options --no-print. (#12)

2016-04-28 23:21:35 -07:00

results

Output performed with loggers. Adds options --no-print. (#12)

2016-04-28 23:21:35 -07:00

__init__.py

add test framework

2014-02-22 17:51:04 -05:00

.gitignore

unittesting and readme update

2012-11-19 18:36:24 +01:00

hybrid36.py

handle structures with 100,000 or more atoms

2014-02-27 18:15:18 -05:00

pkacalc_test.py

Loosen error tolerance in test.

2020-05-10 18:29:51 -07:00

runtest.py

Output performed with loggers. Adds options --no-print. (#12)

2016-04-28 23:21:35 -07:00