oximachine_featurizer v0.3.2

Bug Fixes

• introduce upper limit on the pymatgen version (337f55b)

oximachine_featurizer v0.3.1

Bug Fixes

• changing tolerance to old default (e263dbc)

oximachine_featurizer v0.3.0

Features

• making the nn search more robust (37fbf07)

Miscellaneous

• added test for metal ordering, #36 (4b638b8)
• added test for number of atoms #32 (13d945f)
• added test for the xyz file (b7e89f4)
• adding tests (2789164)
• cleanup, removing unused modules (a5b74f2)
• cleanup, removing unused modules (ffa42a2)
• excluding test dir #37 (b972c7a)
• excluding test package/dir (49a0fae)
• linting (8061393)
• linting (bbe7cb1)
• updated version classifier, updated author list (5b48f12)

oximachine_featurizer v0.2.14

Miscellaneous

• also increasing cutoff (56383a4)
• increasing cutoff further for testing (e12138d)
• standardizing the cell before featurization (04ff6b9)

oximachine_featurizer v0.2.13

Miscellaneous

• fixing some lint warnings (949b6a1)
• increasing search cutoff (24acd72)
• increasing search cutoff (c9a74c8)
• increasing search cutoff (bf2ab57)
• increasing search cutoff (4efa3ca)
• increasing search cutoff (47b27f9)
• increasing search cutoff (82510d9)
• increasing search cutoff (ffc7d56)
• reverting cutoffs (f9b3c1b)
• silencing the featurizer (fdaf0e6)
• updated example notebook (4ea885f)

oximachine_featurizer v0.2.12

Miscellaneous

• pin matminer version furhter (70cc5a0)
• removed one unused fingerprint (453a329)
• testing caching of symmetry equivalent sites (91d046c)

oximachine_featurizer v0.2.11

Miscellaneous

• add option to get the feature names (93ba376)
• add option to get the feature names (cac2b7f)

oximachine_featurizer v0.2.10

Miscellaneous

• lower ase version for aiida-lsmo compatibility (431b103)
• more flexible requirements (8c89214)
• more flexible requirements (b630e02)
• more flexible requirements (051c5fe)
• set log level to debug (4d9c836)

oximachine_featurizer v0.2.9

Miscellaneous

• add python 3.6 support back (c2278c7)
• add python 3.6 support back (7fad64d)
• add python 3.6 support back (84e4ea9)

oximachine_featurizer v0.2.8

Bug Fixes

• console script entry point names (eabafe3)