Revert "Revert "Fix issues with Gasteiger atom typing""
This reverts commit b1603f390f31c154481f5b0a4fc58c208c1cc2a6,
restoring cab6655af046ce82e656c1c35b9fda7c7cc9fa33
I could not get the test server changes to recapitulate locally --
more tellingly, the reversion did not see the inverse of the observed
test changes. Moreover, it looks like other commits from the same time
period also showed similar test changes, indicating an issue with the
tests.
I don't see any test changes locally with this commit, aside from the
added unit tests, and the standard numeric instabilities.