atomate.vasp.builders package¶
Subpackages¶
Submodules¶
atomate.vasp.builders.bandgap_estimation module¶
atomate.vasp.builders.base module¶
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class
atomate.vasp.builders.base.
AbstractBuilder
¶ Bases:
object
Abstract builder class. Defines the contract and must be subclassed by all builders.
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abstract classmethod
from_file
(filename)¶ Set the builder from a config file, e.g., a db file
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abstract
reset
()¶ Unset the building.
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abstract
run
()¶ Run the builder.
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abstract classmethod
atomate.vasp.builders.boltztrap_materials module¶
atomate.vasp.builders.dielectric module¶
atomate.vasp.builders.file_materials module¶
atomate.vasp.builders.fix_tasks module¶
atomate.vasp.builders.materials_descriptor module¶
atomate.vasp.builders.materials_ehull module¶
atomate.vasp.builders.tags module¶
atomate.vasp.builders.tasks_materials module¶
atomate.vasp.builders.utils module¶
This class contains common functions for builders
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atomate.vasp.builders.utils.
dbid_to_int
(dbid)¶
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atomate.vasp.builders.utils.
dbid_to_str
(prefix, dbid)¶