rsgrad程序：基于Rust语言的VASP任务监测-

rsgrad程序主要特色：

Display the TOTEN and TOTEN without entropy infoDisplay the number of SCF stepsDisplay magnetic moment infoDisplay TOTAL-FORCE info, including averag force and maximum forceDisplay the time usage of each ionic stepOutput the trajectory of relaxation or MDSave the viberation modes

rsgrad程序安装：

Clone this repo, and cd rsgradTo run all tests: cargo testTo get the binay: cargo build --release, and the rsgrad is on rsgrad/target/release/rsgrad

rsgrad程序主要功能：

rsgrad 0.2.5@Ionizing github.com/Ionizing/rsgradA tool used to track the VASP calculation result
USAGE: rsgrad 
FLAGS: -h, --help Prints help information
 -V, --version Prints version information

SUBCOMMANDS: help Prints this message or the help of the given subcommand(s) rlx Tracking relaxation or MD progress traj Operations about relaxation/MD trajectory vib Tracking vibration information

rsgrad程序使用示例：

./rsgrad rlx -o OUTCAR_multiple_ionic_steps[2022-02-06T12:19:58Z INFO rsgrad::commands::rlx] Parsing file "OUTCAR_multiple_ionic_steps" and "./POSCAR" #Step TOTEN_z/eV LgdE Fmax #SCF Time/m Mag/muB 1 -253.61859 2.4 0.000 14 2.45 NoMag 2 -253.61023 -2.1 0.192 8 1.31 NoMag 3 -253.61629 -2.2 0.501 7 1.34 NoMag 4 -253.58960 -1.6 0.649 8 1.44 NoMag 5 -253.64364 -1.3 0.001 7 1.29 NoMag

https://github.com/Ionizing/rsgrad