v0.1.17

What's Changed

• AtomsBase v0.4 support by @tjjarvinen in #74
• bump v0.1.17 by @tjjarvinen in #75

Full Changelog: v0.1.15...v0.1.17

v0.1.15

This version now supports AtomsCalculators v0.2. Support for v0.1 has been dropped.

Molly does not have support for AtomsCalculators v0.2 and probably needs an version update to support it.
Thus leading to a break for Molly extension too. That will need to be dealt in the future...

What's Changed

• Support AtomsCalculators v0.2 by @tjjarvinen in #72
• bump to v0.1.15 by @tjjarvinen in #73

Full Changelog: v0.1.14...v0.1.15

v0.1.14

This is meant to be last version with AtomsCalculators v0.1 support.

There is also fixes for gas phase virial calculations and few other fixes.

What's Changed

• Fix two bugs by @tjjarvinen in #69
• Restrict to AtomsCalculators v0.1 by @tjjarvinen in #71
• bump v0.14 by @tjjarvinen in #70

Full Changelog: v0.1.13...v0.1.14

v0.1.13

What's Changed

• fix virial calculation by @tjjarvinen in #67
• bump to v0.1.13 by @tjjarvinen in #68

Full Changelog: v0.1.12...v0.1.13

v0.1.12

What's Changed

• Support new Molly versions by @tjjarvinen in #66

Full Changelog: v0.1.11...v0.1.12

V0.1.11

This update has only one change and that is to found basis onto which ASE interface can be build.

What's Changed

• Update ASE calculator helper functions by @tjjarvinen in #65

v0.1.10

What's Changed

• Add benchmark for combination calls by @tjjarvinen in #61
• Performance improvements by @tjjarvinen in #62
• Update Molly support to v0.19 by @tjjarvinen in #63

Full Changelog: v0.1.9...v0.1.10

v0.1.9

What's Changed

• Update ACE1 to to v0.12 by @tjjarvinen in #59

Full Changelog: v0.1.8...v0.1.9

v0.1.8

What's Changed

• AtomsCalculators support by @tjjarvinen in #56
• Update i-PI driver by @tjjarvinen in #58

Full Changelog: v0.1.7...v0.1.8

v0.1.7

What's Changed

• Fix virial unit by @tjjarvinen in #51
• Add I-PI protocol and ASE calculator helper functions by @tjjarvinen in #52
• And some preparation for AtomsCalculators

Full Changelog: v0.1.6...v0.1.7