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
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