Category: sci-physics
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sci-physics/abinit::phackerlay
- Ebuilds: 4, Testing: 10.8.3
Description: A software suite to calculate the optical, mechanical, vibrational, and other observable properties of materials
Homepage:
https://www.abinit.org
License: GPL-3
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sci-physics/ase::phackerlay
- Ebuilds: 2, Testing: 3.29.0
Description: A set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations
Homepage: https://wiki.fysik.dtu.dk/ase/ https://pypi.org/project/ase/
License: GPL-3
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sci-physics/gpaw::phackerlay
- Ebuilds: 5, Testing: 26.7.0
Description: GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE)
Homepage: https://wiki.fysik.dtu.dk/gpaw/ https://pypi.org/project/gpaw/
License: GPL-3
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sci-physics/oncvpsp::phackerlay
- Ebuilds: 2, Testing: 4.0.1, Snapshot: 9999
Description: The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials
Homepage:
https://github.com/oncvpsp/oncvpsp
License: GPL-3
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sci-physics/quantum-espresso::phackerlay
- Ebuilds: 1, Testing: 7.6
Description: Suite for first-principles electronic-structure calculations and materials modeling
Homepage: https://www.quantum-espresso.org/
License: GPL-2