Pinned Repositories
CrySPY
CrySPY is a crystal structure prediction tool written in Python.
dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
Local-density-of-state
mBJ-VASP-tutorial
Tutorial of mBJ calculation in VASP
quantum-native-dojo
量子コンピュータ初学者のための自習教材
dpdata
A Python package for manipulating atomistic data of software in computational science
dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
chouyoudou's Repositories
chouyoudou/mBJ-VASP-tutorial
Tutorial of mBJ calculation in VASP
chouyoudou/Local-density-of-state
chouyoudou/CrySPY
CrySPY is a crystal structure prediction tool written in Python.
chouyoudou/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
chouyoudou/dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
chouyoudou/quantum-native-dojo
量子コンピュータ初学者のための自習教材
chouyoudou/atomate2
atomate2 is a library of computational materials science workflows