v0.3.0

What's Changed

• Update README.md by @adujovic in https://github.com/Mellechowicz/JorG/pull/5
• 1. Correct version of counting interactions in the Ising model solver… by @adujovic in https://github.com/Mellechowicz/JorG/pull/6
• v0.2.1 by @adujovic in https://github.com/Mellechowicz/JorG/pull/7

New Contributors

• @adujovic made their first contribution in https://github.com/Mellechowicz/JorG/pull/5

Full Changelog: Mellechowicz/JorG@v0.1.2...v0.3.0

v0.1.2

Rational and Bessel interaction models

JorGpi alpha

JorGπ (Georgie Pie) is an automatic scheme of mapping an ab-initio system (so far using VASP) onto Heisenberg model.

At the current state the framework operates only with VASP input and output files. The utilities include (run with -h or --help to get instant help):
JorGpi-startup
The starting generator producing new structure (POSCAR), large enough for calculating the mapping up to a given nearest neighbor (default 3), and all necessary starting magnetic moment configurations (in a set of INCAR files).
JorGpi-pickup
The program for reading the calculations run on the basis of files generated in start-up and calculating the resultant magnetic exchange interaction magnitudes.