I ❤️️ algorithms & atoms.
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Molecular Sciences Software Institute
- Blacksburg, VA, USA
- https://godotalgorithm.github.io
Popular repositories Loading
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rigid-press
rigid-press PublicGeometry optimization of molecular crystals in a rigid-body approximation
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sparse-pseudo-diag
sparse-pseudo-diag PublicSimple reference implementation of sparse pseudo-diagonalization
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linear-scaling-test
linear-scaling-test PublicForked from sandialabs/linear-scaling-test
Companion Software to “Assessment of localized and randomized algorithms for electronic structure”
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qm_project_sss2019
qm_project_sss2019 PublicQM project used at the 2019 MolSSI Software Summer School
Python
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eigen-mini-app
eigen-mini-app PublicFull-to-banded transformation mini-app for OLCF GPU Hackathon
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