hemanadhan Goto Github PK
Name: Hemanadhan Myneni
Type: User
Hemanadhan Myneni's Projects
accdb
A Computational Chemistry DataBase
bagel
Brilliantly Advanced General Electronic-structure Library
cadmium
Prolate spheroidal coordinates grid-based code that solves a cylindrical problem analytically.
deepmind-research
This repository contains implementations and illustrative code to accompany DeepMind publications
dftatom
Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
fdrsp
Finite field testing of response functions for Dalton
hello-world
test repository - hello world
matgenb
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
n2v
n(r) to v(r). Density-to-potential Inversion Suite
n2v_examples
Jupyter Notebook examples for n2v module
pdft
Fragment based calculations for density functional theory
pdft-1
Fragment based calculations for density functional theory
psi4numpy
Combining Psi4 and Numpy for education and development.
smith3
SMITH3 generates efficient code for CASPT2 nuclear gradient (and beyond)
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