0.0.1

• This is an alpha release

The first release of gemdat, the code is still in flux thus do not expect a lot to work yet:

What's Changed

• Adding Actions by @v1kko in #2
• Set up documentation by @stefsmeets in #4
• first few plots working by @v1kko in #7
• Add displacement plots by @stefsmeets in #9
• Add vibrational properties by @stefsmeets in #11
• Add tracer properties by @stefsmeets in #14
• creating a new structure by @v1kko in #12
• Add methods to load a material from a CIF file by @stefsmeets in #18
• Structure the calculations, data now has a calculate_all function by @v1kko in #20
• Add implementation for calculating site transitions by @stefsmeets in #19
• Add integration tests, refactor tracer data by @stefsmeets in #24
• Add SitesData class by @stefsmeets in #25
• Adding a Dashboard by @v1kko in #21
• Dashboard update: offer two ways of selecting a file, simultaniously by @v1kko in #30
• Revise extras by @stefsmeets in #29
• Calculate origin and destination sites for atoms in transition by @stefsmeets in #31
• Calculate occupancy per site by @stefsmeets in #36
• Load super cell and check lattice compatibility by @stefsmeets in #39
• added publish pipeline by @v1kko in #40