• Stars
    star
    4
  • Rank 3,214,156 (Top 65 %)
  • Language
    Python
  • License
    Mozilla Public Li...
  • Created about 7 years ago
  • Updated almost 2 years ago

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

Compute vibrational levels, wavefunctions, and expectation values using the Numerov-Cooley algorithm.

More Repositories

1

somepackage

Show how to structure a Python project.
Python
396
star
2

gtest-demo

Unit test demo using Google Test.
CMake
328
star
3

cmake-example

Example project which demonstrates various CMake features.
CMake
141
star
4

pypi-howto

How to publish Python packages on PyPI.
72
star
5

cicero

🎀 Serving presentation slides written in Markdown.
JavaScript
55
star
6

gitink

ASCII to SVG Git log graph visualizer.
Python
31
star
7

pybind11-demo

Demonstrates how to call a C++ class from Python using pybind11.
C++
30
star
8

python-cffi-demo

Python CFFI demo: interfacing C++, Fortran, and Python.
Python
21
star
9

runtest

🎬 Numerically tolerant end-to-end test library for research software.
Python
19
star
10

pfunit-demo

Unit test demo using pFUnit.
CMake
17
star
11

hdf5-cmake-example

CMake HDF5 hello world example.
C++
16
star
12

polygenerator

Generates random simple polygons.
Python
9
star
13

smeshing

Mesh generator for unstructured triangular grids.
Rust
9
star
14

polygons

Fast points-in-polygon test and distances to polygons.
Rust
9
star
15

git-rebase-squash-exercise

Git rebase and commit squashing exercise.
Python
9
star
16

apptainer-conda

Local Conda environments via Apptainer.
8
star
17

go-game

Go game for the browser.
JavaScript
8
star
18

fortran-collections

Got tired of Fortran not having high level containers.
Fortran
8
star
19

flanders

Fast 2D nearest neighbor search with an angle.
Rust
7
star
20

python-tdd-exercises

Python exercises in TDD style.
Python
7
star
21

til

πŸ’‘ Today I Learned
Python
7
star
22

git-bisect-exercise

Git bisect exercise.
Python
6
star
23

advent-of-code

My solutions to Advent of Code 🌲
Python
6
star
24

ascii2graph

Converts ASCII text to a graph (represented as a dictionary).
Python
6
star
25

obara-saika

Obara-Saika integral code sandbox.
Python
5
star
26

balboa

Balboa computes Gaussian basis functions and their derivatives.
Python
5
star
27

calculator

Exercise to practice building projects with CMake.
C++
5
star
28

software-development-toolbox

Scientific software development toolbox course material.
Python
4
star
29

refreeze

Markdown web slides served cold.
JavaScript
3
star
30

data-visualization

Data visualization course.
Jupyter Notebook
3
star
31

BasisSetConversionTools

Basis set conversion tools.
Visual Basic
3
star
32

interfacing-rust-python

Slides and material for "Interfacing Rust and Python"
CSS
2
star
33

language-mix

Examples across languanges.
Fortran
2
star
34

singularity-quarto

Singularity recipe for Quarto.
2
star
35

singularity-venv

Python virtual environment on Singularity.
2
star
36

singularity-latex

Singularity recipe for LaTeX.
2
star
37

21cfortran

21st Century Fortran Tutorial.
Python
2
star
38

lorentzian

Convert x-y data to Lorentzians.
Python
2
star
39

freestyle

Convert fixed form Fortran files and header files to free form.
Python
2
star
40

fortran-callback

Fortran 90 callback example
Fortran
2
star
41

talk-complexity

Talk: Managing complexity and modular code development.
Fortran
2
star
42

cubicle

Utility to add/subtract/scale cube files.
Python
2
star
43

paragliding-aerodynamics

Collecting notes for teaching material.
Python
2
star
44

recipes

Collection of cooking recipes.
1
star
45

dalton-meeting-2018

Slides presented at the Dalton meeting 2018.
1
star
46

bse-example

Experimenting with Basis Set Exchange.
Jupyter Notebook
1
star
47

bevy-demo

Bevy game example deployed via GitHub Pages.
Rust
1
star
48

singularity-pandoc

Singularity recipe for Pandoc.
1
star
49

experiment-jupyter

Jupyter Notebook
1
star
50

dirac-map

This is where DIRAC developers hang out.
1
star
51

iodoethane-project

Spin-spin couplings in iodoethane obtained with the DIRAC code.
Python
1
star
52

demo-git-conflict

Copy of https://github.com/ResearchSoftwareHour/demo-git-conflict which I will use during stream.
1
star
53

word-count

Python
1
star
54

make-pipeline

Data processing pipeline example.
Python
1
star
55

cubicle-derv

Utility to calculate cube file derivatives.
Python
1
star
56

talk-library-design

Talk: Library design the hard way.
1
star
57

pyngl-streamline

Script to generate colored streamline plots using PyNGL.
Python
1
star
58

fizz-buzz

Superseded by https://github.com/bast/calculator.
Fortran
1
star
59

talk-coding-like-1969

Talk: "Coding like it’s 1969 - research software engineering recipes for the next two decades"
CSS
1
star
60

bast.fr

Home Sweet Home.
HTML
1
star
61

cprofile-howto

How to cProfile Python scripts written by others.
1
star
62

dioxus-demo

Experimenting with Dioxus.
Rust
1
star
63

python-jupyter-demo

Material that I will use when demonstrating Jupyter with a brief introduction into Python.
Jupyter Notebook
1
star
64

angstrom-bohr

Angstrom to Bohr and Bohr to Angstrom conversion without commercials.
HTML
1
star
65

rhodeo

Density evaluation on a grid.
1
star
66

development-containers

Collection of my development containers
1
star
67

R-and-Python

Taking notes as I am learning R.
HTML
1
star
68

coastal-express

Compute nearest neighbor distances along the coast with a view angle.
Python
1
star
69

merge-polygons

Work on polygon merging tool/library.
1
star
70

tromso-paragliding.xyz

Info about Tromso paragliding weather/areas for new/visiting pilots.
HTML
1
star
71

testing_doc_lesson

Python
1
star
72

cffi-mem-alloc-example

Demo of how to create or fix a memory leak when garbage collecting.
Python
1
star
73

talk-practical-software-licensing

Presentation slides: Practical software licensing.
CSS
1
star
74

err

Collection of recipes.
HTML
1
star
75

nixos-configuration

NixOS/ home manager setup.
Vim Script
1
star
76

space-invaders

Space Invaders.
JavaScript
1
star
77

bilinear

Bilinear interpolation library.
Rust
1
star
78

ekolu

Experimentation field. Later it will maybe morph into something real.
Rust
1
star
79

singularity-octopus

Singularity recipe for Octopus.
Roff
1
star
80

doc-example

This is just for demo. Please watch.
1
star