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Releases: Atomistica/atomistica

1.0.4

24 Apr 09:15
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  • Automatically use correct GCC switches for legacy Fortran code

1.0.3

06 Aug 12:53
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  • Bug fix: SlaterCharges and GaussianCharges could case segmentation fault because of uninitialized value

1.0.2

19 Jul 11:24
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  • Fixed regression in makefile.inc

1.0.1

19 Jul 10:43
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  • Minor fixes for the Intel compiler suite
  • Docker and Singularity containers

1.0.0: Merge pull request #33 from Atomistica/properties

25 Feb 12:20
f96a96f
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  • Drop support for Python < 3.6 (#34)
  • Bug fix: Reading EAM tables
  • Bug fix: Python bindings should recalculate only when necessary

0.10.2

28 May 09:03
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  • Update Python interface for recent changes in ASE
  • Bug fix: Wrong neighbor list construction for small negative positions (#30)
  • Bug fix: Default system of units in DFT-D3 when using Python or LAMMPS (#27)

0.10.1

18 Nov 20:21
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  • Select elements in SlidingT

0.10.0

17 Nov 21:33
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  • DFT-D3 dispersion correction
  • Variable-charge model

0.9.2

05 Nov 21:11
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  • OpenMP parallelization of the grid portion of PME

0.9.1

05 Nov 20:12
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  • OpenMP parallelization of LJCut