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Interaction between preset charges/<code>charge_from_moleucles</code> and virtual sites underspecified

SMIRNOFF

Status: Open.

#69 In openforcefield/standards;

· mattwthompson opened on Sep 19, 2024

Document charge assignment hierarchy

SMIRNOFF

Status: Open.

#68 In openforcefield/standards;

· mattwthompson opened on Sep 13, 2024

Clarify improper definition in spec, including figure illustrating torsions

Status: Open.

#65 In openforcefield/standards;

· jchodera opened on Apr 12, 2024

match="once", match="all_permutations" not described in spec

Status: Open.

#64 In openforcefield/standards;

· lilyminium opened on Mar 20, 2024

SMIRNOFF spec should link to stable versions of external docs

Status: Open.

#56 In openforcefield/standards;

· mattwthompson opened on Sep 18, 2023

SMIRNOFF: Support other mixing/combination rules

SMIRNOFF

Status: Open.

#52 In openforcefield/standards;

· mattwthompson opened on Jun 27, 2023

Coulomb PME convergence criteria no specified?

SMIRNOFF

Status: Open.

#50 In openforcefield/standards;

· mrshirts opened on Jun 6, 2023

SMIRNOFF: Remove details not part of the specification

Status: Open.

#49 In openforcefield/standards;

· mattwthompson opened on Mar 2, 2023

SMIRNOFF: Allow vdW potentials other than 12-6 Lennard-Jones

Status: Open.

#46 In openforcefield/standards;

· mattwthompson opened on Nov 30, 2022

Website should be versioned

Status: Open.

#20 In openforcefield/standards;

· mattwthompson opened on Nov 16, 2021

SMIRNOFF: Support interpolated improper torsions

SMIRNOFF

Status: Open.

#19 In openforcefield/standards;

· mattwthompson opened on Nov 10, 2021

SMIRNOFF: definition of vacuum dielectric constant?

SMIRNOFF

Status: Open.

#17 In openforcefield/standards;

· mrshirts opened on Sep 30, 2021