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Compatibility with general small molecule forcefields

Status: Open.

#23 In molmod/QuickFF;

· kantundpeterpan opened on Mar 24, 2021

Input bug qff-input-ei

Status: Open.

#21 In molmod/QuickFF;

· SanderBorgmans opened on Jan 11, 2021

How to generate the force filed parameters by vasprun.xml?

Status: Open.

#20 In molmod/QuickFF;

· harrypotty18 opened on Nov 24, 2020

coercing to Unicode: need string or buffer, PosixPath found

Status: Open.

#18 In molmod/QuickFF;

· ignaspakamore opened on Apr 23, 2020

Multiple molecules?

Status: Open.

#17 In molmod/QuickFF;

· tantrev opened on Apr 18, 2020

How to get the parameters of Lennard-Jones potential?

Status: Open.

#7 In molmod/QuickFF;

· pincher-chen opened on Feb 14, 2019

Logger object has no attribute log_level

Status: Open.

#6 In molmod/QuickFF;

· paulsh1957 opened on Feb 7, 2019