27 lines
1.0 KiB
ReStructuredText
27 lines
1.0 KiB
ReStructuredText
Kspace styles
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=============
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Classes that compute long-range Coulombic interactions via K-space
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representations (Ewald, PPPM) are derived from the KSpace class. New
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styles can be created to add new K-space options to LAMMPS.
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Ewald.cpp is an example of computing K-space interactions.
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Here is a brief description of methods you define in your new derived
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class. See kspace.h for details.
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+---------------+----------------------------------------------+
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| init | initialize the calculation before a run |
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+---------------+----------------------------------------------+
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| setup | computation before the 1st timestep of a run |
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+---------------+----------------------------------------------+
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| compute | every-timestep computation |
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+---------------+----------------------------------------------+
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| memory\_usage | tally of memory usage |
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+---------------+----------------------------------------------+
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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