Pinned Repositories
AbinitEmbedding
Modifications to the ABINIT code for embedding simulations
DMFET-public
DMFET-public
EAMpotentials
EAM potentials parametrized by the Carter group
EmbeddingIntegralGenerator
Generator of embedding integrals in different formats.
libKEDF
A BSD3-licensed library for (advanced) KEDFs and their, hopefully advanced, implementation.
local-pseudopotentials
Local pseudopotentials for use with orbital-free density functional theory.
PFET
Potential functional embedding theory (new version)
PROFESS
PRinceton Orbital-Free Electronic Structure Software
TigerCI
VASPEmbedding
Embedding module for VASP and tools for its use.
Carter group codes's Repositories
EACcodes/PROFESS
PRinceton Orbital-Free Electronic Structure Software
EACcodes/VASPEmbedding
Embedding module for VASP and tools for its use.
EACcodes/EmbeddingIntegralGenerator
Generator of embedding integrals in different formats.
EACcodes/libKEDF
A BSD3-licensed library for (advanced) KEDFs and their, hopefully advanced, implementation.
EACcodes/PFET
Potential functional embedding theory (new version)
EACcodes/TigerCI
EACcodes/EAMpotentials
EAM potentials parametrized by the Carter group
EACcodes/AbinitEmbedding
Modifications to the ABINIT code for embedding simulations
EACcodes/BLPSGenerator
EACcodes/DMFET-public
DMFET-public
EACcodes/local-pseudopotentials
Local pseudopotentials for use with orbital-free density functional theory.
EACcodes/pydmfet
python wrapper for dmfet
EACcodes/optimizeOERmechanism
This repository enables one to enumerate all possible electrocatalytic pathways underlying the oxygen evolution reaction (OER) on a given electrocatalyst surface.
EACcodes/AIDFT-U
Evaluate ab initio the Coulomb and exchange parameters for DFT+U calculations.
EACcodes/deft
EACcodes/goLPS
globally optimized local pseudopotentials for, in particular, OFDFT calculations
EACcodes/real-space-electrostatic-sum