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Python interface to PLUMED

Project description

Install using the following commands:

# install dependencies
python -m pip install cython numpy
# install plumed
python -m pip install plumed

WARNING: You will need to also build and install the plumed library (see http://www.plumed.org) and set the environment variable PLUMED_KERNEL to point to the file libplumedKernel.so (or libplumedKernel.dylib). Something like this should work:

PLUMED_KERNEL=/path/to/libplumedKernel.so
python
>>> import plumed
>>> p=plumed.Plumed()

Project details


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Files for plumed, version 0.2
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