Skip to content
View harrietobrien's full-sized avatar

Block or report harrietobrien

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
harrietobrien/README.md

Hi there 💚

profile for harriet at Stack Overflow, Q&A for professional and enthusiast programmers
harrietobrien's GitHub stats
Genarris 2.0: A random structure generator for molecular crystalsProgram Files DOI
Genarris 2.0 is a highly distributed molecular crystal structure prediction package written in Python/C featuring workflows that combine first principles simulations with machine learning. The program employs the following external routines and libraries: Spglib, ASE, pymatgen, SciPy, mpi4py, scikit-learn, PyTorch, FHI-aims.

Pinned Loading

  1. Tetrauma Tetrauma Public

    Customizable tetris implementation in PyQt6 including features to add custom falling piece color schemes (or select from default schemes), next-piece preview, hold queue, falling piece counts, and …

    Python

  2. Exercism Exercism Public

    My published Exercism solutions

    Standard ML

  3. crystem crystem Public

    WxPython desktop application for simulation of crystal structures and symmetry operations in wxAuiNotebook-embedded Mayavi scenes

    Python 1

  4. Bare-bones Tkinter Tetris Bare-bones Tkinter Tetris
    1
    #!/usr/bin/env python3
    2
    # -*- coding: utf-8 -*-
    3
    """
    4
    Created on Wed Jun  6 03:04:42 2018
    5
    @author: harrietobrien