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9 commits

Author SHA1 Message Date
Christian Clauss
4a7fa658bb Make bandit a mandatory test and fix some typos 2021-10-30 02:11:52 +02:00
Mark Driver
6e40ff7931 Merge branch 'master' of https://github.com/nwchemgit/nwchem 
Conflict in contrib/python/nwgeom.py has been resolved by accepting
change in bec27a0cd3, which provides
resolution of the correct information.'
 2020-06-17 18:13:54 +01:00
Mark Driver
bec27a0cd3 update to nwgeom.py to fix NoneType error. 
None is returned by rtdb_get(name) if name is not in the rtdb variables. This leads to failure of the previous behaviour which expects NWChemError to be raised.
 2020-06-17 18:09:12 +01:00
edoapra
91fb3e34fb
workaround since NWChemError is not working after python3 updates 2020-04-14 15:49:56 -07:00
edoapra
cc7160b90c
python3 updates 2020-04-14 15:49:05 -07:00
Mark Driver
1e724c2852 remove star import in function. 2020-03-12 20:33:54 +00:00
Mark Driver
38a2d1a625 update formatting to make it python3 compatible. 2020-03-12 16:13:32 +00:00
Robert Harrison
819d581ec4 don't corrupt input units 2001-05-11 17:46:06 +00:00
Robert Harrison
45e666e791 beginning of a collection of python scripts 1999-07-14 20:23:30 +00:00