nmardirossian

Pinned Repositories

netflix
Language:Python0 2 00
Cubic_MP2
A very basic implementation of cubic-scaling MP2 (both MP2-J and MP2-K)
Language:C20
Cubic_MP2J
A fast implementation of cubic-scaling direct MP2 (MP2-J)
Language:Python20
FFTW_threading
A simple program to verify that the built-in threading in FFTW3 is working
Language:C00
pbcdft_pyscf_benchmarks
PBC/DFT benchmark files of various crystals for Pyscf
Language:Python10
pyscf
Python module for quantum chemistry
Language:Python00
PySCF_Tutorial
Language:Jupyter Notebook29 4 020
TensorMol
Tensorflow + Molecules = TensorMol
Language:Python10
pyscf
Python module for quantum chemistry
Language:Python1.2k 79 1.4k565

nmardirossian's Repositories

nmardirossian/PySCF_Tutorial
Language:Jupyter Notebook29 4 020
nmardirossian/Cubic_MP2
A very basic implementation of cubic-scaling MP2 (both MP2-J and MP2-K)
Language:C20
nmardirossian/Cubic_MP2J
A fast implementation of cubic-scaling direct MP2 (MP2-J)
Language:Python20
nmardirossian/pbcdft_pyscf_benchmarks
PBC/DFT benchmark files of various crystals for Pyscf
Language:Python10
nmardirossian/TensorMol
Tensorflow + Molecules = TensorMol
Language:Python10
nmardirossian/FFTW_threading
A simple program to verify that the built-in threading in FFTW3 is working
Language:C00
nmardirossian/pyscf
Python module for quantum chemistry
Language:Python00