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7,981 to 7,990 of 11,083 Results
functions.py
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Python Source Code - 4.3 KB - MD5: f0193430c3233a19cef3898496f329ab
Python functions needed in order for the Jupyter Notebooks to work properly.
gto_err_time.tab
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Tabular Data - 1.9 KB - 10 Variables, 24 Observations - UNF:6:9O0GNYuzlSUFLdJWO9c5VQ==
gtofd_vs_gtolr.ipynb
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Jupyter Notebook - 73.2 KB - MD5: 0d6a97980318eb47b9d7fe59a80d433a
Jupyter Notebook for generating Figure 4 in journal article.
gtofd_vs_mwfd.ipynb
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Jupyter Notebook - 72.2 KB - MD5: f1b1ed19e5ddc29fe2a4561d8936c6f7
Jupyter Notebook for generating Figure 3 in journal article.
gtolr_vs_mwfd.ipynb
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Jupyter Notebook - 82.0 KB - MD5: e9dc10ef8c727420be66120aca56b4b7
Jupyter Notebook for generating Figure 6 in journal article.
gto_lr.yaml
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Unknown - 18.2 KB - MD5: fc2ab8ab4fb69c14cf15f33598e48e81
hg_data.yaml
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Unknown - 45.3 KB - MD5: c435f7a9a9deb152afcddfcc39f517e7
make_species_table.ipynb
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Jupyter Notebook - 7.3 KB - MD5: ba438e336910feef1bd5fc92af0895d2
mem_data_lda.yaml
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Unknown - 48.8 KB - MD5: d82fa529ba4148ad3bcf7c73fc4c1bc7
mem_data_pbe.yaml
Jun 17, 2020 - Replication Data for: Static polarizabilities at the basis set limit: A benchmark of 124 species
Unknown - 83.4 KB - MD5: 4d068309414fb7939e364f0327a6dd0e
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