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Releases: abelcarreras/phonolammps

0.9.3

29 Aug 09:51
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Fix mass to element conversion for element number > 83
Update Zenodo reference

compatibility with LAMMPS2023

19 Oct 14:55
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Fix bug that broke compatibility with LAMMPS2023

0.9.1: Merge pull request #15 from PabloPiaggi/master

26 Jul 16:47
6a29fdb
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Correct high-symmetry points example graphene

Gromacs compatibility

10 Nov 15:41
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Added preliminar gromacs subclass
Bug related to order of atoms in large unitcells corrected

LAMMPS 2020 compatibility

08 Jun 11:36
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Added LAMMPS 2020 compatibility
Add consistency checking for supercell structure
minor fixes and improvements

Updated to phonopy 2.x

11 Jul 18:39
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Remove references to deprecated functions in phonopy 2.x+
Moved to new functions in phonopy 2.x while keeping support for old phonopy 1.9.x+
python 2.7.x still supported

Clean API

03 Sep 11:45
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v0.5.2