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Purdue University
- West Lafayette, IN
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PDFT_1D
PDFT_1D PublicA real-space implementation of Partition-DFT in MATLAB. This code is designed to calculate the ground-state properties of one-dimensional finite systems, e.g., linear hydrogen chains.
MATLAB
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psi4numpy
psi4numpy PublicForked from psi4/psi4numpy
Combining Psi4 and Numpy for education and development.
Jupyter Notebook
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n2v_examples
n2v_examples PublicForked from wasserman-group/n2v_examples
Jupyter Notebook examples for n2v module
Jupyter Notebook
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