qmctorch.scf.calculator package¶
Submodules¶
Module contents¶
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class
qmctorch.scf.calculator.
CalculatorBase
(atoms, atom_coords, basis, scf, units, molname, calcname, savefile)[source]¶ Bases:
object
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class
qmctorch.scf.calculator.
CalculatorADF
(atoms, atom_coords, basis, scf, units, molname, savefile)[source]¶ Bases:
qmctorch.scf.calculator.calculator_base.CalculatorBase
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class
qmctorch.scf.calculator.
CalculatorADF2019
(atoms, atom_coords, basis, scf, units, molname, savefile)[source]¶
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class
qmctorch.scf.calculator.
CalculatorPySCF
(atoms, atom_coords, basis, scf, units, molname, savefile)[source]¶ Bases:
qmctorch.scf.calculator.calculator_base.CalculatorBase