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Modelos Atomicos Pdf

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Preview of PTools Library: Comprehensive Tools for Automatic Derivative Calculation and Force Field Analysis in C++ and Python
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PTools Library: Comprehensive Tools for Automatic Derivative Calculation and Force Field Analysis in C++ and Python (12900_2008_247_MOESM1_ESM.pdf)

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The PTools library facilitates automatic derivative calculation and superposition functions, supporting both atomic and coarse-grain models. It includes classes for force fields like AttractForceField, transformation matrices, atom selection, and rigid bodies, with C++ core and...
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library ptools tools automatic derivative calculation force analysis python coarse comprehensive field facilitates superposition functions supporting atomic grain models includes classes fields attractforcefield transformation matrices selection rigid bodies

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