ashutoshvt Goto Github PK

adapt-vqe

ADAPT-VQE simulation code

ashutoshvt.github.io

autogen

Automatic Expression Generator Code using Wicks theorem for Quantum Chemical Theories

bagel

Brilliantly Advanced General Electronic-structure Library

bash-oo-framework

Bash Infinity is a modern boilerplate / framework / standard library for bash

blis

BLAS-like Library Instantiation Software Framework

ccreorganization

cppcoreguidelines

The C++ Core Guidelines are a set of tried-and-true guidelines, rules, and best practices about coding in C++

discovering_modern_cpp

Source codes of Discovering Modern C++

fvno

hpc-submission-scripts

Example job submission scripts for HPC systems (PBS and SLURM)

hpcinfo

Information about many aspects of high-performance computing. There is content in the Wiki.

libint

Libint is a high-performance library for computing Gaussian integrals in quantum mechanics

libxm

C/C++ Tensor Library

moderncpp

Code for my Modern C++ webinar

mpi_direct_scf

mpi_exercises

nbody_driver

A python driver for many body expansion techniques

neural-networks-and-deep-learning

Code samples for my book "Neural Networks and Deep Learning"

notebooks

Collection of Jupyter Notebooks

oop_sprint

planets

psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

psi4numpy

Combining Psi4 and Numpy for education and development.

qforte

qm_2017_sss_team9

qm_2017_sss_team9-1

research

research_work

sequant

SeQuant: second quantization in Mathematica