-
Python should not increase minor numbers with backward incompatible changes. Unfortunately it does.
-
Closing xyz files resets the numpy string function. If this occurs between two calls to write_sample(), this could screw up formatting. To prevent this, we set the string function at every call. This may incur in a slight overhead, but at least it is safe as long as we stay single thread.
-
1
-
Do not know why, but sometimes '' is not there. Also we print errors in custom trajectory imports, because they are useful for debugging.
-
This fixes the case when the suffix is already present.
-
The fields attribute was supposed to store only particle properties, not system ones.
-
Fields are meant to be particle attributes, not system objects. We may need an extra variable, or a more general schema descriptor, to signify to other classes what objects and/or fields are written in the trajectory.