schrodinger.application.desmond.memory_estimate module¶
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schrodinger.application.desmond.memory_estimate.
estimate_memory
(natoms)¶ Param: number of atoms in the system :return estimation of the size of the video memory in bytes
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schrodinger.application.desmond.memory_estimate.
estimate_natoms
(st, buffer)¶ :type buffer:float :return type: int