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chrisjsewell/aiida-crystal17: Add Basis Set parser and ``compute_orbitals`` function
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Title: | chrisjsewell/aiida-crystal17: Add Basis Set parser and ``compute_orbitals`` function |
Authors: | Sewell, C |
Item Type: | Software / Code |
Abstract: | chrisjsewell/aiida-crystal17: Add Basis Set parser and ``compute_orbitals`` function chrisjsewell/aiida-crystal17: Add Basis Set parser and ``compute_orbitals`` function |
Content Version: | v0.9.2b5 |
Issue Date: | 1-Aug-2019 |
URI: | http://hdl.handle.net/10044/1/73076 |
DOI: | http://doi.org/10.5281/zenodo.3357615 |
Copyright Statement: | https://github.com/chrisjsewell/aiida-crystal17/blob/develop/LICENSE |
Keywords: | CRYSTAL17 AiiDA |
Appears in Collections: | Faculty of Natural Sciences - Research Data |