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1,151 to 1,160 of 12,708 Results
C80H162mw6.out
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Unknown - 690.0 KB - MD5: 16669ed64c56df1f962d7f0a87f92aaf
C80H162mw7.out
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Unknown - 834.5 KB - MD5: 1a46d01bbd92046983ec026dcf6e3175
gramicidin.inp
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
chemical/x-gamess-input - 21.0 KB - MD5: 5b85654a8c57baa597c05f69427fd6a8
gramicidin_mw5.out
Sep 27, 2022 - Supporting Data for: MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties
Unknown - 1014.6 KB - MD5: b1a2e4fed3e904196b248b8a52f66d7b
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
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