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A python wrapper for the Poisson-Boltzmann Equation solver DelPhi

Project description

DelPhi4Py

A python wrapper for the Poisson-Boltzmann Equation solver DelPhi

Dependencies

  • python3.5>=
  • NumPy>=1.15.0

DelPhi compilation dependencies

  • gfortran #7.4.0
  • gcc #7.4.0
  • g++ #7.4.0
  • libgfortran4

Compilation

Before running the compile.sh script please check that the compiler paths exist and correspond to version 7

bash compile.sh

To check for a correct compilation please run the script test.py on delphi4py/example/ and see a "successful exit" message

cd example/; python3 test.py

License

DelPhi4Py itself is distributed under a LGPL-3.0, however, DelPhi is proprietary software. To use DelPhi the user is required to download the DelPhi license here

Project details


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delphi4py-1.2.0.linux-x86_64.tar.gz (3.1 MB view hashes)

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delphi4py-1.2.0-py3-none-any.whl (3.1 MB view hashes)

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