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3,421 to 3,430 of 11,085 Results
gramicidin_mw6.out
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Unknown - 1014.7 KB - MD5: 16ab6ec2fe7c3e3ea38caae0885f69ec
gramicidin_mw7.out
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Unknown - 1015.6 KB - MD5: ae14908d3121928a89dcfa8f0e8743eb
job
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Plain Text - 233 B - MD5: 98fd33f8e504c0868c6bc4ffd5c4eb22
parallel_mw_plots.ipynb
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Jupyter Notebook - 48.9 KB - MD5: 4f131205ce662078dfc3ad072620827b
readAlkanes.py
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Python Source Code - 8.3 KB - MD5: 9c9f0833e00538e6e3faaecb83cf0ea4
Times_nAlkanes.png
Times_nAlkanes.png
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
PNG Image - 304.3 KB - MD5: 25746ba0d9142f673a1f2a39030edf33
valinomycine.inp
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
chemical/x-gamess-input - 10.2 KB - MD5: 7ec08273742972ef68b6dd2f51c65d76
valinomycine_mw5.out
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Unknown - 364.6 KB - MD5: d95d9f2ec3ba6c3940fb3d9f18d2afea
valinomycine_mw6.out
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Unknown - 364.8 KB - MD5: 5c6d633cb25677c307c31cc923e4bca0
valinomycine_mw7.out
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Unknown - 364.8 KB - MD5: e7521f3388163bb49b2e1911b6cff58f
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