Dump Files in LAMMPS
LAMMPS is a widely-used molecular dynamics simulation software that allows researchers to simulate the behavior of…
Barostat in Molecular Dynamics Simulation
Barostats are essential tools in molecular dynamics (MD) simulations for maintaining constant pressure conditions. These tools…
Thermostat in Molecular Dynamics Simulation
In molecular dynamics (MD) simulations, a thermostat is a tool used to control the temperature of…
Consistent Valence Force Field (CVFF)
The interatomic potential is an important parameter in molecular dynamics simulations. The Consistent Valence Force Field…
Uniaxial Compression Simulation
This is a LAMMPS input to study deformation mechanisms during uniaxial compression process of an aluminum…
Trajectory Line Analysis in MD Simulations
The trajectory line analysis produces a set of continuous lines from the time-dependent particle positions. It…
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