WarrenApp 0.2.0

What's Changed

• WarrenApp 0.2.0 by @SWeav02 in #8
• Major overhaul of BadELF algorithm. Minor updates to VASP DFT settings.

WarrenApp 0.1.3

What's Changed

• Change Population Analysis Grid Density by @SWeav02 in #4
• Updated EDIFF Parameter for VASP Calculations by @SWeav02 in #5
• Added HSE POTCARs and New Nested Workflows by @SWeav02 in #6

Full Changelog: v0.1.2...v0.1.3

WarrenApp 0.1.2

What's Changed

• Added Nested Workflows and Switched to PBEsol by @SWeav02 in #3

Full Changelog: v0.1.1...v0.1.2

WarrenApp 0.1.1

What's Changed

• Increase minimum charge by @SWeav02 in #1
• Rework of Population Analysis HSE Workflows by @SWeav02 in #2

New Contributors

• @SWeav02 made their first contribution in #1

Full Changelog: v0.1.0...v0.1.1

WarrenApp 0.1.0

What's Changed

• Transferred work on WarrenApp from @SWeav02 Simmate fork to this repo
• Added custom VASP settings for relaxations and static energy calculations
• Added Warren Lab Bader and BadELF workflows
• Added custom population analysis table to store information on electride sites