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Releases: MatrixLabTools/PotentialDB.jl

v0.2.5

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@tjjarvinen tjjarvinen released this 27 Sep 06:59
b54eb78

This release has only a small tweak on AtomsBase output.

Full Changelog: v0.2.4...v0.2.5

v0.2.4

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@tjjarvinen tjjarvinen released this 29 Aug 05:16
cf7a1e1

What's Changed

Full Changelog: v0.2.3...v0.2.4

v0.2.3

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@tjjarvinen tjjarvinen released this 07 Jul 03:30
4a286a3

This release only adds support for v0.6 PotentialCalculation

v0.2.2

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@tjjarvinen tjjarvinen released this 15 May 20:08

Bump allowed version for PotentialCalculation

v0.2.1

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@tjjarvinen tjjarvinen released this 11 Mar 14:45

Change save file format accordingly PotentialCalculation v0.4.2

v0.2.0

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@tjjarvinen tjjarvinen released this 22 Sep 19:34
8c23b10
  • Changed to JLD2 format
  • Some code cleaning

v0.1.4

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@tjjarvinen tjjarvinen released this 03 Mar 17:57
c1e6075

This version has only github actions ci.

Nothing else was changes or added.

v0.1.3

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@tjjarvinen tjjarvinen released this 02 Mar 22:56

Glycolic acid potential

v0.1.2

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@tjjarvinen tjjarvinen released this 29 Jan 18:01
21ca8f7

Added benzene potentials for argon and neon.

v0.1.1

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@tjjarvinen tjjarvinen released this 13 Oct 19:18

Added more potentials and fixed few bugs.