CCP-NC

CCP-NC's repositories

CASTEPconv, a tool to automate convergence calculations with CASTEP

Language:PythonGPL-3.012 20

Soprano - a Python library to crack crystals!

Language:PythonLGPL-3.08 4 13

Language:Python4 4 31

Library to compute Nuclear Independent Chemical Shieldings from NMR CASTEP calculations

Language:PythonMIT4 30

A web page to host CASTEP pseudopotential strings and data for all elements

Language:HTML3 20

MagresView, a JavaScript, JMol-based viewer for computed NMR data in the Magres file format.

Language:JavaScriptGPL-3.01 2 5

NOMAD parser for the magres file format.

Language:PythonApache-2.0100

020

A JavaScript parser for Crystallography CIF files

Language:JavaScriptMIT000

A Three.js based crystallographic visualisation tool

Language:JavaScriptMIT003

MagresView 2.0 - NMR crystallography visualisation app

Language:JavaScriptMIT01 18

Python script for calculating dipolar 2nd moments under molecular motion

Language:PythonMIT03 4

A quick helper script to make supercells of structure files with ASE

Language:PythonMIT020

Language:PythonMIT01 1

A Python parser for CASTEP fmt files (densities, potentials etc.)

Language:PythonMIT020

Forked staged-recipes used to maintain the Soprano conda-forge package

Language:PythonBSD-3-Clause000