spirit-code / spirit

Atomistic Spin Simulation Framework
http://spirit-code.github.io
MIT License
120 stars 52 forks source link

Core: add susceptibility to quantities API #418

Closed GPMueller closed 6 years ago

GPMueller commented 6 years ago
screen shot 2018-05-18 at 17 48 19

This should be calculated independently for x, y and z, so that it can be used for any direction of external field.

It is an especially useful quantity for Monte Carlo.

GPMueller commented 6 years ago

Implemented susceptibility, heat capacity and binder cumulant as thermal averages in "mc.py" Python script with 95f42454032f65360e63082844eee4abe30a72d9. Did not implement as Quantity API, because thermal averaging is not implemented in Method_MC and I don't have a good plan for how to do it in a good way.