adding Pair::single() support to python pair style and examples
43efe9e417ee
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on May 17 2017, 23:20.

Description

adding Pair::single() support to python pair style and examples

with the single function, python pair styles can be massively
sped up and made compatible to accelerators, as one can translate
the analytic force and energy functions through LAMMPS into suitable
tables and then simply use the on-the-fly tables for production runs

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

May 17 2017, 23:20

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPS45becfb235d7: correct author attributions

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS43efe9e417ee: adding Pair::single() support to python pair style and examples (authored by Axel Kohlmeyer <akohlmey@gmail.com>).May 17 2017, 23:20

Changes (9)

				Path
	P			examples/python/data.spce Copied from examples/USER/tally/data.spce
	A			examples/python/in.pair_python_coulomb
	A			examples/python/in.pair_python_table
	A			examples/python/log.4May17.pair_python_coulomb.1
	A			examples/python/log.4May17.pair_python_coulomb.4
	A			examples/python/log.4May17.pair_python_table.g++.1
	A			examples/python/log.4May17.pair_python_table.g++.4
	M			src/PYTHON/pair_python.cpp
	M			src/PYTHON/pair_python.h