piwheels

torch-dftd

pytorch implementation of dftd2 & dftd3

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install torch-dftd

Dependencies

• pymatgen
• ase

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
0.5.1	2024-11-22
0.5.0 yanked	2024-11-18
torch_dftd-0.5.0-py3-none-any.whl (665 KB)
0.4.0	2023-11-24
torch_dftd-0.4.0-py3-none-any.whl (665 KB)
0.3.0	2021-09-21
torch_dftd-0.3.0-py3-none-any.whl (24 KB)
0.2.0	2021-09-04
torch_dftd-0.2.0-py3-none-any.whl (24 KB)
0.1.0	2021-05-10
torch_dftd-0.1.0-py3-none-any.whl (664 KB)
0.0.1	2021-05-10
torch_dftd-0.0.1-py3-none-any.whl (664 KB)
0.0.0a0 pre-release yanked	2025-03-13

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