MDPOW icon indicating copy to clipboard operation
MDPOW copied to clipboard

use python-quantities instead of numkit.observables

Open orbeckst opened this issue 9 years ago • 0 comments

At the moment we use GromacsWrapper's numkit.observables to represent results, mainly to do error propagation. However, there's the mature https://github.com/python-quantities/python-quantities (which even comes with proper unit support) and we should replace the GW solution.

orbeckst avatar Sep 06 '16 23:09 orbeckst