Description
trex2champ is a tool that allows reading output files of quantum chemistry codes (GAMESS and trexio files) and writing input files for CHAMP in V3.0 format.
Date made available | 13 Sept 2024 |
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Publisher | Zenodo |
Datasets
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Cornell-Holland Ab-initio Materials Package (CHAMP)
Filippi, C. (Creator), Shinde, R. (Contributor), Landinez Borda, E. J. (Contributor), Shepard, S. (Contributor), Slootman, E. (Contributor), Cuzzocrea, A. (Contributor), Azizi, V. (Contributor), López-Tarifa, P. (Contributor), Renaud, N. (Contributor), Umrigar, C. (Contributor) & Moroni, S. (Contributor), Zenodo, 28 May 2024
DOI: 10.5281/zenodo.11369537, https://zenodo.org/records/11369538 and one more link, https://doi.org/10.5281/zenodo.11369538 (show fewer)
Dataset