Pinned Repositories
FCP-vasp-ase
ASE interface for fully constant potential with VASP
OPLSAA-DB
Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BOSS and MCPRO.
PyLAT
lammps tools for caculate diffusion coefficient and electric conductivity
PythonPractice
极客时间课程《Python核心技术与实战》课程练习实践。
M-wp's Repositories
M-wp/FCP-vasp-ase
ASE interface for fully constant potential with VASP
M-wp/PythonPractice
极客时间课程《Python核心技术与实战》课程练习实践。
M-wp/PyLAT
lammps tools for caculate diffusion coefficient and electric conductivity
M-wp/OPLSAA-DB
Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Gromacs, NAMD, CHARMM, LAMMPS, TINKER, CNS/X-PLOR, Q, DESMOND, BOSS and MCPRO.