mytools

Here is my tools for dealing with vasp, including:

• generate INCAR, POSCAR, POTCAR, KPOINTS, vasp.script from .xsd file
• plot energy, force process from pyamff.log
• plot energy profile from accumulative_energy.dat
• plot energy iteration from OSZICAR
• get the index of fixed atoms to set the .inp file for CP2K
• split DOS for f electron
• convert CONTCAR to .xsdfile
• obtain the XX step structure, like POSCAR_XX
• get the information of cores of cluster on taiyi
• print the jobstatus on taiyi