Feature Request: Add Virtual Indenter Functionality (Analogous to LAMMPS 'fix indent') in GPUMD's MD Module for Mechanical Loading Simulations

[Eulogist]

Currently, I aim to simulate mechanical loading processes, which require the establishment of a physical indenter model combined with the move command to perform indentation. Based on my understanding, this approach typically increases the number of simulated atoms, thereby raising computational resource demands. Additionally, since diamond indenters are often required, the complexity of potential function setup will increase—at least introducing interactions between C-C atoms and between C atoms and the atoms of the material being loaded.

Therefore, I propose that developers consider adding a ​virtual indenter functionality (e.g., fix indent) to simplify the simulation of material deformation under microscopic mechanical loading. This feature would avoid explicit modeling of physical indenters and reduce the need for additional atomic interactions.

However, due to my limited foundational knowledge, these requests may not be entirely reasonable. I sincerely hope this feedback does not cause inconvenience to the developers. Thank you for your hard work and consideration!

[brucefan1983]

This command seems to be rather complicated. I am not sure whether I can do it or when.