dqc
stable
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Calculating force
Calculating gradients of xc functional
Alchemical perturbation
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Systems (dqc)
QCCalc (dqc)
Other APIs (dqc)
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Hamilton (dqc.hamilton)
XC (dqc.xc)
Data structures (dqc.utils)
dqc
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Tutorials
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Tutorials
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Calculating force
Calculating gradients of xc functional
Alchemical perturbation
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