Adapt for inclusion in Asap.

pmla / polyhedral-template-matching

Polyhedral Template Matching algorithm for analysis of molecular dynamics simulation data

MIT License

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Adapt for inclusion in Asap. #3

Closed schiotz closed 8 years ago

schiotz commented 8 years ago

Adapt Makefile for inclusion in Asap. Adapt ptm.py script to use (and test) more info than just the structure. Remove the link flag -z defs as it is not supported on all architectures. Change type of atomic numbers from NPY_INT to NPY_INT32 so it could be created correctly in Python.