testase
Atomic Simulation Environment for atomistic simulations
Install
- All systems
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curl cmd.cat/testase.sh
- Debian
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apt-get install python-ase - Ubuntu
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apt-get install python-ase - Kali Linux
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apt-get install python-ase - Fedora
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dnf install python-ase - Windows (WSL2)
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sudo apt-get updatesudo apt-get install python-ase - Raspbian
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apt-get install python-ase - Dockerfile
- dockerfile.run/testase
python-ase
Atomic Simulation Environment for atomistic simulations
ASE is an Atomistic Simulation Environment written in the Python programming language with the aim of setting up, stearing, and analyzing atomistic simulations. ASE is part of CAMPOS, the CAMP Open Source project. ASE contains Python interfaces to several different electronic structure codes including Abinit, Asap, Dacapo, Elk, GPAW and SIESTA. https://wiki.fysik.dtu.dk/ase/