Modifications

Python framework for working with atomic configurations, potentials, and algorithms.

Moderator: moderators

Post Reply
graeme
Site Admin
Posts: 1948
Joined: Tue Apr 26, 2005 4:25 am
Contact:

Modifications

Post by graeme »

Now using a makefile to build the potentials instead of the build script. The compiler is g77 for now.

Removed all references to Numeric and numarray, in favor of numpy. This later package looks a lot cleaner because it incorporates scipy and f2py. This means we can use the functionality of numarray vectors and still pass them to fortran.
graeme
Site Admin
Posts: 1948
Joined: Tue Apr 26, 2005 4:25 am
Contact:

Post by graeme »

Made changes to be compatible with numpy 1.0.1.
- matrixmultiply() is now dot()
- numpy.Float is now numpy.float
- numpy.outerproduct is now numpy.float
Post Reply