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Related:
chemistry
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| Package |
Description |
Version |
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dbcsr
☆
formula
|
Distributed Block Compressed Sparse Row matrix library |
|
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iqmol
☆
cask
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Free open-source molecular editor and visualization package |
3.2.2 |
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libecpint
☆
formula
|
Library for the efficient evaluation of integrals over effective core potentials |
|
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libint
☆
formula
|
Library for computing electron repulsion integrals efficiently |
2.11.2 |
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libxc
☆
formula
|
Library of exchange and correlation functionals for codes |
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nwchem
☆
formula
|
High-performance computational chemistry tools |
7.3.1 |