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Open Graph Title: molmod/QuickFF

X Title: molmod/QuickFF

Description: A Python code to quickly derive ab initio parameterized force fields. - molmod/QuickFF

Open Graph Description: A Python code to quickly derive ab initio parameterized force fields. - molmod/QuickFF

X Description: A Python code to quickly derive ab initio parameterized force fields. - molmod/QuickFF

Opengraph URL: https://github.com/molmod/QuickFF

X: @github

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Compatibility with general small molecule forcefieldshttps://patch-diff.githubusercontent.com/molmod/QuickFF/issues/23
kantundpeterpanhttps://patch-diff.githubusercontent.com/molmod/QuickFF/issues?q=is%3Aissue%20state%3Aopen%20author%3Akantundpeterpan
Input bug qff-input-eihttps://patch-diff.githubusercontent.com/molmod/QuickFF/issues/21
SanderBorgmanshttps://patch-diff.githubusercontent.com/molmod/QuickFF/issues?q=is%3Aissue%20state%3Aopen%20author%3ASanderBorgmans
How to generate the force filed parameters by vasprun.xml?https://patch-diff.githubusercontent.com/molmod/QuickFF/issues/20
harrypotty18https://patch-diff.githubusercontent.com/molmod/QuickFF/issues?q=is%3Aissue%20state%3Aopen%20author%3Aharrypotty18
coercing to Unicode: need string or buffer, PosixPath foundhttps://patch-diff.githubusercontent.com/molmod/QuickFF/issues/18
ignaspakamorehttps://patch-diff.githubusercontent.com/molmod/QuickFF/issues?q=is%3Aissue%20state%3Aopen%20author%3Aignaspakamore
Multiple molecules?https://patch-diff.githubusercontent.com/molmod/QuickFF/issues/17
tantrevhttps://patch-diff.githubusercontent.com/molmod/QuickFF/issues?q=is%3Aissue%20state%3Aopen%20author%3Atantrev
How to get the parameters of Lennard-Jones potential?https://patch-diff.githubusercontent.com/molmod/QuickFF/issues/7
pincher-chenhttps://patch-diff.githubusercontent.com/molmod/QuickFF/issues?q=is%3Aissue%20state%3Aopen%20author%3Apincher-chen
Logger object has no attribute log_levelhttps://patch-diff.githubusercontent.com/molmod/QuickFF/issues/6
paulsh1957https://patch-diff.githubusercontent.com/molmod/QuickFF/issues?q=is%3Aissue%20state%3Aopen%20author%3Apaulsh1957
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