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PBC in non-orthorhombic simulation cells #1

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vpasumarthi opened this issue May 15, 2017 · 0 comments
Open

PBC in non-orthorhombic simulation cells #1

vpasumarthi opened this issue May 15, 2017 · 0 comments
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vpasumarthi commented May 15, 2017 •
edited

Minimum image convention is currently being implemented by brute-force. Coming up with an inexpensive algorithm would reduce the run time to build neighbor list significantly.
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