From 1109a903a2ab2e7ded0e82d35d0e35219933a5a0 Mon Sep 17 00:00:00 2001 From: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Date: Thu, 21 Jul 2022 10:15:27 -0700 Subject: [PATCH] clarify fractional bondorder method support --- docs/standards/smirnoff.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/standards/smirnoff.md b/docs/standards/smirnoff.md index f568e1d..901f5f1 100644 --- a/docs/standards/smirnoff.md +++ b/docs/standards/smirnoff.md @@ -450,7 +450,7 @@ can be replaced by a single parameter line by first invoking the `fractional_bon ``` This allows specification of force constants and lengths for bond orders 1 and 2, and then interpolation between those based on the partial bond order. -* `fractional_bondorder_method` defaults to `AM1-Wiberg`. +* `fractional_bondorder_method` defaults to `AM1-Wiberg`, which is the only supported scheme for now. * `fractional_bondorder_interpolation` defaults to `linear`, which is the only supported scheme for now. | Bonds section tag version | Tag attributes and default values | Required parameter attributes | Optional parameter attributes | @@ -548,7 +548,7 @@ A fractional bond order of .9 would yield an interpolated `k#` value determined Some key usage points: -* `fractional_bondorder_method` defaults to `AM1-Wiberg`. +* `fractional_bondorder_method` defaults to `AM1-Wiberg`, which is the only supported scheme for now. * `fractional_bondorder_interpolation` defaults to `linear`, which is the only supported scheme for now. | ProperTorsions section tag version | Tag attributes and default values | Required parameter attributes | Optional parameter attributes |