Nathan Baker 9cafb41e06 Document acceptable error in PROPKA tests. ...

Addresses
https://github.com/jensengroup/propka-3.1/pull/29#discussion_r424572620

2020-05-16 16:49:47 -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

Document acceptable error in PROPKA tests.

2020-05-16 16:49:47 -07:00

runtest.py

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

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