atomate2.forcefields.schemasΒΆ
Schema definitions for force field tasks.
Classes
Document containing information on structure relaxation using a force field. |
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Types of forcefield data objects. |
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Schema to store outputs in ForceFieldTaskDocument. |
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Convert a string or number to a floating point number, if possible. |
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The inputs used to run this job. |
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Document defining the information at each ionic step. |
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The outputs of this job. |