GitHub - kschmuck/NEB: nudge elastic band

Name		Name	Last commit message	Last commit date
Latest commit History 84 Commits
.gitignore		.gitignore
IDPP.py		IDPP.py
Kernels.py		Kernels.py
MLDerivative.py		MLDerivative.py
ML_Test_File.py		ML_Test_File.py
NEB.py		NEB.py
NEB_Test.py		NEB_Test.py
SVM.py		SVM.py
SVM_Test.py		SVM_Test.py
data_reader_writer.py		data_reader_writer.py
ethane_PES.py		ethane_PES.py
mueller_brown_pes.py		mueller_brown_pes.py
optimize.py		optimize.py
xyz_file_writer.py		xyz_file_writer.py