patvarilly / periodic_kdtree
SciPy-based kd-tree with periodic boundary conditions
☆36Updated 8 years ago
Related projects: ⓘ
- Particle Mesh in Python☆27Updated 11 months ago
- spatialstats is collection of statistical tools and utility routines used to analyze the multi-scale structure of 2D and 3D spatial field…☆10Updated 2 years ago
- Routines for rotational spectroscopy analysis written in Python 3☆31Updated last month
- ☆10Updated 4 years ago
- The Reaction Network Viewer (ReNView) generates a graphic representation of the reaction fluxes within the system essential for identifyi…☆21Updated last month
- A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).☆24Updated 8 months ago
- An open source toolkit for simulating RIXS spectra based on ED☆34Updated last month
- Learning materials for scientific software development☆76Updated last week
- A resource for use of numerical physics with Python, covering many topics in physics.☆36Updated last year
- Massively parallel hybrid particle-field molecular dynamics in Python.☆24Updated last week
- Implementation of the EMUS algorithm for recombining multiple biased data sources in python☆14Updated 6 months ago
- Python/numba package for evaluating Wigner D matrices and spin-weighted spherical harmonics☆52Updated 4 months ago
- PyDiatomic solves the time-independent coupled-channel Schroedinger equation using the Johnson renormalized Numerov method. This is very …☆13Updated last month
- Nested Sampling code☆30Updated 2 months ago
- This repository contains data science educational materials developed by DSECOP Fellows.☆43Updated 2 months ago
- Library for Green’s function based electronic structure theory calculations☆19Updated this week
- A lightweight, parallel python wrapper for the GSL integration library☆13Updated 3 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆10Updated 3 weeks ago
- The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …☆31Updated last year
- ☆23Updated 2 months ago
- An ultra-fast equilibrium chemistry☆41Updated this week
- Evaluate and transform D matrices, 3-j symbols, and (scalar or spin-weighted) spherical harmonics☆45Updated 9 months ago
- A Basic Symmetry Module (Python)☆15Updated 2 months ago
- Repo for a DOE HPC workflow training event☆12Updated last year
- Estimate the autocorrelation time of time-series data very quickly☆32Updated last year
- python based implementation of the nested sampling algorithm☆26Updated 9 years ago
- encore: Efficient isotropic 2-, 3-, 4-, 5- and 6-point correlation functions in C++ and CUDA☆19Updated last year
- Topological Analysis for Molecular Systems☆17Updated 5 years ago
- A python package for producing publication quality images using matplotlib.☆89Updated 4 years ago
- Autonomous Data Acquisition, Uncertainty Quantification and HPC Optimization☆20Updated 2 weeks ago