aa840

Pinned Repositories

ModSeminario_Py
Python version of the modified Seminario method code
Language:Python165
icepd
Interaction detection using PD, PD plots and ICE plots.
Language:Python30
ModSeminario
Contains the modified Seminario method program along with set of example files.
Language:MATLAB33
QUBEMAKER
Uses a .onetep and .psf file to produce a QUBE file format
Language:MATLAB11
ALF
A framework for performing active learning for training machine-learned interatomic potentials.
Language:Python00

aa840's Repositories

aa840/ALF
A framework for performing active learning for training machine-learned interatomic potentials.
aa840/icepd
Interaction detection using PD, PD plots and ICE plots.
Language:Python3
aa840/ModSeminario
Contains the modified Seminario method program along with set of example files.
Language:MATLAB33
aa840/ModSeminario_Py
Python version of the modified Seminario method code
Language:Python165
aa840/QUBEMAKER
Uses a .onetep and .psf file to produce a QUBE file format
Language:MATLAB11