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pysages |
PySAGES package |
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pysages.colvars |
Python classes for collective variables. |
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pysages.colvars.angles |
Python classes angle collective variables. |
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pysages.colvars.coordinates |
Python classes for coordinate-based collective variables. |
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pysages.colvars.core |
Collective variables core classes. |
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pysages.colvars.orientation |
Python classes Orientation collective variables. |
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pysages.colvars.shape |
Python classes for shape collective variables. |
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pysages.methods |
Python classes for the advanced sampling methods. |
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pysages.methods.abf |
Python classes for the ABF advanced sampling method. |
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pysages.methods.ann |
Python classes for the ANN advanced sampling method. |
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pysages.methods.core |
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pysages.methods.ffs |
Classes for the Forward Flux Sampling method. |
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pysages.methods.funn |
Classes for the FUNN advanced sampling method. |
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pysages.methods.harmonic_bias |
Classes for the harmonic bias method. |
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pysages.methods.metad |
Python classes for Metadynamics. |
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pysages.methods.spline_string |
Python classes to run the spline (improved) string method. |
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pysages.methods.umbrella_integration |
Python classes to run umbrella integration. |
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pysages.methods.utils |
Python helper classes for all sampling methods. |