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US 2006/0142980 A1Published application
Multiple body simulation
AssigneeD. E. Shaw Research, LLC
InventorsYibing Shan, John Klepeis, Michael Eastwood, Ron Dror, David Shaw
Life of this patent
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Abstract
A method and a corresponding software and a system for processing a charge distribution according to a spreading function and a predefined operation are described.
Claims116
A method comprising:
- processing a charge distribution according to a spreading function and a predefined operation, the spreading function being representable as a convolution of a first spreading function and a second spreading function, the first spreading function representing a different distribution than the second spreading function, the processing of the charge distribution comprising:
- applying the first spreading function in a real domain to determine charge values at locations on the grid from the charge distribution;
- applying the operation on the grid in the real domain;
- and
- applying the second spreading function to the result of applying the operation.
2 more elements
A method comprising:
- processing a charge distribution according to a spreading function and a predefined operation, the spreading function being representable as a convolution of a first spreading function and a second spreading function, the first spreading function being representable as two portions, the second portion being a separable function, the processing comprising:
- applying the first portion of the first spreading function in a real domain to determine charge values at locations on the grid from the charge distribution;
- applying a second portion of the first spreading function in the real domain;
- and
- applying an operation in the real domain on the grid;
- and
- applying the second spreading function to the result of applying the operation.
4 more elements
A method comprising:
- processing a charge distribution according to a Gaussian spreading function, the Gaussian spreading function being a convolution of components, the processing including:
- spreading the charges to the grid in a first domain based on a first component of the Gaussian spreading function;
- applying a function to the charges on the grid in a second domain using a second component of the Gaussian spreading function;
- performing a calculation based on a third component of the Gaussian spreading function and the result of applying the function.
1 more element
The method of 72 wherein performing the calculation based on a third component of the Gaussian and the result of applying the function includes implementing a convolution of the result with the third component.
A machine-based method comprising
- selecting a first distribution, a second distribution, and a third distribution such that a convolution of the first distribution, the second distribution, and the third distribution is equal to a predefined spreading function;
- and
- determining forces on a particle associated with charges based on applying the first distribution and the second distribution in a first computational domain and applying the third distribution in a second computational domain.
Dependencies are inferred from the claim text.