Directory structure of this project:
GpumdSupport (Root directory)
│
├── README.md
│
├── LICENSE # a gnu license
│
├── Compiling
│ │
│ ├── GPUMD
│ │
│ ├── LAMMPS
│ │
│ └── SupportPackage
│
├── Test
│ │
│ └── CrossTestWithLAMMPS
│ │
│ └── Force
│
└── ThermalTransport
│
├── BlackPhosphorus (Work: Thermal transport properties of
single-layer black phosphorus from extensive molecular dynamics
simulations)
│
└── MolybdenumDisulfide (Work: Thermal transport in MoS2 from
molecular dynamics using different empirical potentials)
<https://github.com/Kick-H/For_gpumd#how-to-use-it>One, who have any
suggestions/questions about the For_gpumd, can send email here about this
project.
