0.4.6

• Add --ngrid in wav3d to customize the grid size of wavefunction in realspace.

0.4.5.1

ubuntu-18.04 image is not available on GitHub Actions, this version solves it.

0.4.5

• wav3d: Add uns and dnsfor ncl WAVECAR to save the charge density of spinor up/down separately.

Full Changelog: 0.4.4...0.4.5

0.4.4

Add range parser for band/kpoint indices for wav1d and wav3d

Full Changelog: 0.4.3...0.4.4

0.4.3

Full Changelog: 0.4.2...0.4.3

• Add rsgrad gap command.

Make constants consistent with VASP's

RY_TO_EV from 13.605693009 to 13.605826,
PI from std::f64::consts::PI to 3.141592653589793238.

0.4.1 TDM calculator added.

• Adds Transition Dipole Moment calculator.

0.4.0 New minor version with many new features.

• wav3d: Plot 3D wavefunction.
• wav1d: Plot 1D wavefunction.
• outcar.rs: Fix the issue when OUTCAR contains no 'external pressure' words.
• wavcar.rs: Add WAVECAR parser.
• Add --to-inline-html to plotters.

What's Changed

• Update rust.yml by @Ionizing in #4

Full Changelog: 0.3.6...0.4.0

Test CI release

Merge pull request #4 from Ionizing/CI-tests

Update rust.yml

0.3.6

• Add band plotting function.
• Make PROCAR parser run in parallel.

Full Changelog: 0.3.5...0.3.6