Yu-Hang Tang Siriusitzy

Ph.D. Candidate in Xiamen University

Siriusitzy / deepmd-v3_installation_ikkem.sh

Last active May 26, 2025 03:32

IKKEM 一键安装DeePMD-kit 3.1.0a 免编译lammps （from ChiahsinChu）

	#!/bin/bash
	set -e

	EVN_NAME=deepmd_dpa3

	module purge

	# download deepmd-kit v3.1.0a0
	if [ ! -d ./deepmd-kit ]; then
	git clone https://github.com/deepmodeling/deepmd-kit.git -b v3.1.0a0