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Commit 9d13caf6 authored by hchou10's avatar hchou10
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Merge branch 'master' of gitlab.engr.illinois.edu:hchou10/GenerateGridPotential

parents 42dfccc0 17c0c482
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This is a very small program for me to pre-compute potential file for ARBD simulation.
This program generates corresponding potential Dx file when a density Dx file and the potential type is given.
The supported potential type incudes 12-6 Lennard Jones, Debye-Huckel potential and tabulated potential.
I partially realize the structure of C++ class structure and late-binding using C function pointer and preprocessing.
You have to install fftw3 in order to successfully compile the code.
I also provide some small tool to manipulate the Dx file such as mult_grid (multiply a grid by a constant), slice_grid (slice outside voxels), sub_grid (subtract two grid values),
sum_grid (sum two grids).
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