Changelog

Siesta Mobile 0.2.0

It is a copy of Quantum Mobile v20.06.1a1 with the elimination of few codes

Software summary

OS: Ubuntu 18.04.4 LTS
tools: atomistic (xcrysden, jmol, cif2cell, ase, pymatgen, seekpath, spglib, pycifrw), visualization (grace, gnuplot, matplotlib, bokeh, jupyter), simulation environment (slurm, OpenMPI, FFT/BLAS/LAPACK, gcc, gfortran, singularity)
aiida-core 1.6.1
- aiida-abinit 0.2.0a1
- aiida-quantumespresso 3.4.2
- aiida-siesta 1.2.0
- aiida-wannier90 2.0.1
- aiida-wannier90-workflows 1.0.1
simulation codes:
- siesta Max-1.2.0
- abinit 9.2.1
- Wannier90 3.1.0

Build process

ansible 2.10.7
Vagrant v2.2.16
- vbguest v0.30.0
- bento/ubuntu-18.04 v202005.21.0
Virtualbox v6.1.22

Known Issues

Docker build has not been reviewed so it can not be trusted!!!!! Documentation has not been modified!