Version 0.1.2

Changes

• Feature: SCFMixing and SCFDirectMinimization require Tolerance to be specified
• Feature: when NonSelfConsistentCal is not explicitly set, PynAbi will check the existence of Tolerance (Abinit implicitly assumes a SCF calculation)
• Documentation: for Smearing and Metal
• Fix: typat, natom, nband spelled correctly
• Fix: compatibility check also on base dataset
• Fix: SymmetricGrid now correctly writes kptopt and shiftk

Version 0.0.3

v0.0.3

doc: install and wiki