574e4067dc
This is the first step for moving the documentation format from *.txt to the *.rst format. In the last years we've been automatically converting txt files from Steve's markup into RST to generate the documentation pages via Sphinx. The decision has now been made to fully migrate to RST and avoid the conversion in the future. This will enable us to fully use RST and Sphinx to improve the documentation. For the intermediate period, while there are still pending PRs with documentation changes, we will keep both source files and update the RST files accordingly.
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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