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Stub repulsive potentials for several element pairs #4

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awvwgk opened this issue May 7, 2022 · 0 comments
Open

Stub repulsive potentials for several element pairs #4

awvwgk opened this issue May 7, 2022 · 0 comments

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@awvwgk
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awvwgk commented May 7, 2022

The 3ob set uses unphysical repulsives for short distances with various element combinations. Would be important to fix since users will run into this issue when using the 3ob for cationic systems, where bond distances are naturally shorter.

Fix by @tomaskubar available with 7ae2739
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