nmdl-mizo
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interface_master
interface_master PublicA python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).
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castep_elnes_parser
castep_elnes_parser PublicA simple python script for parsing [CASTEP](http://www.castep.org/) output files especially for ELNES calculations.
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Repositories
- nmdl-mizo.github.io Public
nmdl-mizo/nmdl-mizo.github.io’s past year of commit activity - Finetuned-MACE-model Public
nmdl-mizo/Finetuned-MACE-model’s past year of commit activity - ELNES-Cal2Exp-Corrector Public
nmdl-mizo/ELNES-Cal2Exp-Corrector’s past year of commit activity - interface_master Public
A python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).
nmdl-mizo/interface_master’s past year of commit activity - coop_dimenet_mod Public
nmdl-mizo/coop_dimenet_mod’s past year of commit activity - ck_edge_maker Public
A dedicated Python script for making smeared C-K edge spectra from the hdf5 dataset of eigenvalues and dynamical structure factors
nmdl-mizo/ck_edge_maker’s past year of commit activity - gnn_train_container Public
nmdl-mizo/gnn_train_container’s past year of commit activity - lcaonet Public
LCAONet - MPNN including electronic structure and orbital information, physically motivatied by the LCAO method.
nmdl-mizo/lcaonet’s past year of commit activity
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