Carter group codes

EACcodes

Carter group

Princeton University

https://carter.princeton.edu/

Carter group codes's repositories

PROFESS

PRinceton Orbital-Free Electronic Structure Software

Language:Fortran28 8 1

VASPEmbedding

Embedding module for VASP and tools for its use.

Language:FortranMPL-2.08 50

EmbeddingIntegralGenerator

Generator of embedding integrals in different formats.

Language:C++MPL-2.04 30

libKEDF

A BSD3-licensed library for (advanced) KEDFs and their, hopefully advanced, implementation.

Language:C++BSD-3-Clause3 20

TigerCI

Language:FortranNOASSERTION3 40

EAMpotentials

EAM potentials parametrized by the Carter group

Language:ForthNOASSERTION2 20

PFET

Potential functional embedding theory (new version)

Language:Fortran2 30

AbinitEmbedding

Modifications to the ABINIT code for embedding simulations

Language:FortranGPL-3.01 30

BLPSGenerator

Language:FortranGPL-3.01 20

DMFET-public

DMFET-public

Language:Fortran1 40

local-pseudopotentials

Local pseudopotentials for use with orbital-free density functional theory.

Language:Roff1 30

optimizeOERmechanism

This repository enables one to enumerate all possible electrocatalytic pathways underlying the oxygen evolution reaction (OER) on a given electrocatalyst surface.

Language:PythonGPL-3.0030

AIDFT-U

Evaluate ab initio the Coulomb and exchange parameters for DFT+U calculations.

000

deft

Language:Jupyter NotebookBSD-3-Clause030

goLPS

globally optimized local pseudopotentials for, in particular, OFDFT calculations

Language:TeXNOASSERTION020

pydmfet

python wrapper for dmfet

Language:PythonBSD-3-Clause010

real-space-electrostatic-sum

MIT000