Releases: Atomistica/atomistica
Releases · Atomistica/atomistica
1.0.4
- Automatically use correct GCC switches for legacy Fortran code
1.0.3
- Bug fix: SlaterCharges and GaussianCharges could case segmentation fault because of uninitialized value
1.0.2
- Fixed regression in makefile.inc
1.0.1
- Minor fixes for the Intel compiler suite
- Docker and Singularity containers
1.0.0: Merge pull request #33 from Atomistica/properties
- Drop support for Python < 3.6 (#34)
- Bug fix: Reading EAM tables
- Bug fix: Python bindings should recalculate only when necessary
0.10.2
- 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
- Select elements in SlidingT
0.10.0
- DFT-D3 dispersion correction
- Variable-charge model
0.9.2
- OpenMP parallelization of the grid portion of PME
0.9.1
- OpenMP parallelization of LJCut