James E T Smith (@jamesETsmith)
github

jamesETsmith

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  • Stars
    star
    27
  • Global Rank 529,752 (Top 19 %)
  • Followers 42
  • Following 74
  • Registered over 9 years ago
  • Most used languages
    Python
         45.5 %
    C++
         27.3 %
    HTML
         18.2 %
    Julia
         9.1 %
  • Location 🇺🇸 United States
  • Country Total Rank 98,015
  • Country Ranking
    Julia
         1,125

Top repositories

1

2022_simons_collab_pyscf_workshop

Demos for the 2022 Many Electron Collaboration Workshop on PySCF
7
star
2

hci_nuc_gradients

Scripts and input files for generating the data in the HCI gradients paper.
Python
5
star
3

msanalysis

Python Tools for Mass Spec. Analysis
Python
3
star
4

fri-cc

Fast-randomized iteration for coupled cluster.
Python
2
star
5

pybind11_numpy

A sandbox for me to practice passing NumPy arrays back and forth to C++ with pybind11.
C++
2
star
6

conda_envs

A bare bones repo for storing all of the conda env files I use
1
star
7

2022_06_17_pyscf_intro

HTML
1
star
8

quantum_chem_julia

quantum chemistry methods in julia built on top of pyscf
Julia
1
star
9

SpMV_benchmark

A benchmark of sparse matrix dense vector multiplication in C++ using homebuilt and pre-packaged methods.
C++
1
star
10

pyscf_benchmark

A set of tools and examples to benchmark PySCF
Python
1
star
11

ppix_final

NEVPT2 Calculations on Protoporphyrin IX
Python
1
star
12

performance_practice

C++
1
star
13

2021_09_24_pyscf_overview_talk

A talk about PySCF and how it relates to the rest of the CCQ software ecosystem
HTML
1
star