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Jupyter Notebook - 14.8 KB -
MD5: c152f5cd4d9d0de662c21309a77237af
This notebook can be used to determine the initial information required for a hydrodynamic DFT simulation. This comprises the external potential, the weighted density of wall atoms (for entropy scaling) and the initial density profile (i.e. an equilibrated droplet) from DFT. |
Jupyter Notebook - 24.7 KB -
MD5: 519ebc917158d6b72904fa2691ce5b48
This notebook can be used to postprocess (NE)MD simulations carried out using LAMMPS. It is assumed, that the simulations are carried out with the in.lammps files and that trajectories are stored in a traj.lammpsdump file. |
Jupyter Notebook - 28.0 KB -
MD5: 1f16d92f41eaed52a9bda964c4a4a82e
This notebook can be used to determine and plot the center of mass position of the droplet, to calculate the average or steady-state velocity of the droplet and to visualize two dimensional velocity profiles |
Plain Text - 2.3 KB -
MD5: d1c24713c34daba5c3411f51be8486cb
Summary of information included in this repository. |
Unknown - 500.5 MB -
MD5: 10670347fd1c251001e3b8b4ad74a76d
Simulation Data |
Unknown - 500.5 MB -
MD5: da01bc50157953eb16960e785599e2e9
Simulation Data |
Unknown - 500.5 MB -
MD5: 6694a1144cb8d752d1db6950f4f269d9
Simulation Data |
Unknown - 500.5 MB -
MD5: 735c9551119b25b7342e2727abb93060
Simulation Data |
Unknown - 500.5 MB -
MD5: 41fdba4d99b3a4a1019643b7b9c569b9
Simulation Data |
Unknown - 500.5 MB -
MD5: da5817dc15624a8598757dd8ba747987
Simulation Data |