atomate2.vaspΒΆ
Module for VASP workflows.
Modules
Builders for generating VASP-related collections. |
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Drones for parsing VASP calculations and related outputs. |
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Functions for manipulating VASP files. |
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Flows for running VASP calculations. |
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Jobs for running VASP calculations. |
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Powerups for performing common modifications on VASP jobs and flows. |
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Functions to run VASP. |
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Output schemas for VASP calculations. |
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Module defining VASP input sets used in atomate2. |