MatMethods Changelog

v0.3

• Raman workflow (K. Mathew)
• Gibbs workflow (K. Mathew)
• More efficient task builder (S. Ong)
• tag workflows and add_trackers powerups (A. Jain, A. Faghaninia)
• refactor elastic workflow (K. Mathew)
• bugfixes and tools package (K. Mathew)

v0.21

• Lammps workflows and packmol support (K. Mathew)
• Rework some of the RunVaspFake code (K. Mathew)
• Fixes to elastic workflow (J. Montoya)
• Minor refactoring (K. Mathew)
• Minor MD workflow updates (M. Aykol)
• Fix builder for HSE gap and add chemsys
• WF metadata powerup
• Minor bug fixes and misc. improvements (K. Mathew, J. Montoya, A. Faghaninia)

v0.2

• BoltzTraP transport workflows
• major builder improvements (merge multiple collections, progressbar, config, more...)
• use FrozenJobErrorHandler by default
• add basic configuration overrides for preset workflows
• misc improvements and bugfixes
• py3 compatibility fixes (K. Mathew)

v0.1

• add some builders
• elastic + piezo workflows (J. Montoya + S. Dwaraknath)
• minor doc improvements (A. Faghaninia)
• misc code improvements and bug fixes, plus upgrades for new pymatgen

v0.0.3

• initial release (A. Jain, S.P. Ong, K. Mathew, M. Aykol)