安装依赖库:
sudo apt install libxm4 libgl1
解压后调整环境变量:
#Multiwfn3.8dev export OMP_STACKSIZE=200M ulimit -s unlimited export Multiwfnpath=$Programs/Multiwfn_3.8_linux export PATH=$Multiwfnpath:$PATH
增加可执行权限:
chmod +x Multiwfn
cp examples/RESP/RESP.sh .
chmod +X RESP.sh