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Revert "Rename fix python/move to move/python"

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This reverts commit 4d915dba08.
This commit is contained in:
Richard Berger
2017-12-15 13:17:12 -05:00
parent 1b07a4edee
commit 4d725c3153
5 changed files with 50 additions and 47 deletions
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examples/python/README.fix_python_move Normal file
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This folder contains several LAMMPS input scripts and a python module
file py_nve.py to demonstrate the use of the fix style python/move
to reimplement NVE using Python.
in.fix_python_nve_melt:
This is a version of the melt example which replaces the default NVE integrator
with a Python implementation. Fix python/move is used to create an
instance of the py_nve.NVE class which implements the required interface.
It demonstrates how to access LAMMPS data as numpy arrays. This gives direct
access to memory owned by the C++ code, allows easy manipulation through numpy
operations and avoids unnecessary copies.
in.fix_python_nve_melt_opt:
This version of melt example uses NVE_Opt instead of NVE. While this Python
implementation is still much slower than the native version, it shows that
simple code transformations can lead to speedups.