v0.8.0.rc10

Merge pull request #137 from libAtoms/23-sdist-attempt-5

Update build-wheels.yml

v0.8.0.rc4

Merge pull request #130 from Fraser-Birks/fix_np_asscalar_bug

BUG: Removed np.asscalar()

v0.8.0.rc3

Same as rc2, testing pushing to PyPI

v0.8.0.rc2

Release candidates testing deployment of wheels

v0.8.0.rc1

Merge pull request #107 from libAtoms/build-wheels

WIP Build wheels

Merge pull request #80 from libAtoms/v0.7.0

• Calculator for Manybody potentials e.g. Stillinger-Weber and Bond-order
• Specific parametrizations for Tersoff-Brenner potentials, Stillinger-Weber and Kumagai
• Analytic computation of Hessian matrix for manybody potentials
• Analytic computation of zero-temperature elastic constants for pair potential and manybody potentials
• CLI for electrochemistry functions
• Proper molecular id numbering in electrochemistry
• Generation of dislocations

0.6.0: Merge pull request #51 from griessej/polydisperse_systems

• Numerical computation of the Hessian matrix
• Calculator for polydisperse systems in which particles interact via a pair potential
• Analytic computation of Hessian for polydisperse systems
• Bug fix in tests eam_calculator_forces_hessian

0.5.2

• Enabling automatic publishing on PyPI

0.5.1

• Enabling automatic publishing on PyPI

0.5.0

• Sinclair flexible boundary conditions for cracks and arc-length continuation
• Bug fix in neighbour list search that lead to occasional segfaults