0.3.5

• Add DOS and PDOS plotting
• Force use local-plotly in all plots

Full Changelog: 0.3.4...0.3.5

[Bug]
rsgrad dos will not produce plot in dos.html, but works if you write total = true in pdos.toml and rsgrad -c pdos.toml. This will be fixed in the next release.

0.3.4

• Add charge density difference calculator
• Add work function plotter

0.3.3

[pot.rs] add POTCAR generator.
[settings.rs] add configuration file support.

Full Changelog: 0.3.2.1...0.3.3

0.3.2.1

[bugfix] fix missing constraints in traj -s
[main] switch from optional args to positional args. e.g. rlx -o OUTCAR -> rlx OUTCAR

Full Changelog: 0.3.2...0.3.2.1

Add POSCAR split and POSCAR modulation function.

[rsgrad] add poscar operations, only POSCAR split is available

[rsgrad] add POSCAR modulation method

Switch from ExpHP/vasp_poscar to homemade `Poscar` , refactoring.

0.2.5

[rsgrad] Refactoring, switch from exphp/vasp_poscar to homemade Poscar

Fix parse_cell issue with negative numbers in 'direct lattice vectors'

0.2.4

Fix parse_cell issues with negative numbers

Bugfixes for vibration mode parser and cell parser.

• Fix parse_cell failure in ISYM!=0 systems;
• Fix parse_dof failure for vibration systems

Add POSCAR option & bugfix

• When the system contains constraints, a POSCAR is needed, or the max forces info would be incorrect.
• fixed bug that when OUTCAR contains "Primitive cell", rsgrad may fail.

Several bugfixes

• fix parse_cputime failure with large number
• fix parse_efermi failure with large number
• fix force size calculation error