- Add Python 3.7 support.
- Bugfix: first derivatives of SOAP potentials should now be handled
correctly (previously those of non-differentiable terms were undefined
rather than zero, and those of soap_pp.PairScorer() were applied to
the wrong atoms).
- Bugfix: fix double-counting of soap_pp.PairScorer() energy.
- Bugfix: selection.rotate_dihedrals() and sequence_db.search()
now respect the random seed set when the environ() object was created
(previously they would use a fixed random seed).
- Bugfix: CONECT records in output PDB files should now contain the correct
atom serial numbers in all cases (previously they may have been incorrect
for multichain models, or model subsets written out with selection.write()).
Automatic builds
2018-12-06
