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FRI-Computational-Materials / haptic-device

Code for the FRI haptic device project
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Implement slabs #41

Open ReynaW opened 5 years ago

ReynaW commented 5 years ago

Now that atoms loop around when hitting the boundary, it should be easier to implement slabs by having them extend "infinitely" pass the boundary. There may need to be a repeating flag on atoms so we can accurately simulate one non-repeating atom interacting with a slab.

ReynaW commented 5 years ago

May not be possible with current computing limitations. With how it works currently, I'm not able to have enough atoms on screen at a time for them to accurately behave like a slab instead of just forming a cluster- testing various potential fixes now.

ReynaW commented 5 years ago

Functional if you choose the boundaries manually (using a box that appears on screen), currently working on getting fcc/bcc structures to work & being able to eventually import lattice constants and configurations.

ReynaW commented 5 years ago

Currently does not work while using haptic device to control- controlled atom flies around in the wrong directions. May be fixed with #9 .

ReynaW commented 5 years ago

Haptic device works better, but still not perfect. After cutting down on some force calculations, performance is much better overall.