From 5a1f15c46b2f1e6f295027c8903a9890dddaea10 Mon Sep 17 00:00:00 2001 From: Andrew McCluskey Date: Tue, 5 Dec 2023 14:22:26 +0000 Subject: [PATCH] Update faq.md --- docs/source/faq.md | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/docs/source/faq.md b/docs/source/faq.md index d50f7430..3e9b1a7e 100644 --- a/docs/source/faq.md +++ b/docs/source/faq.md @@ -44,7 +44,5 @@ > When calculating displacements, `kinisi` uses a simple heuristic to unwrap trajectories. > If the displacement between two steps, is greater than half the simulation cell length, `kinisi` wraps that > displacement. This scheme assumes that no particle moves more than one cell between steps. Therefore, it requires that - > enough simulation data is provided to `kinisi`. This process is performed for each dimension of the trajectory, - > allowing for any orthorhombic (and cubic) cell. However, this heuristic does not support simulation cells that do not have - > lattice angles not equal to 90°, or cells that change shape or size. + > enough simulation data is provided to `kinisi`. > This is the reason for not supporting NPT simulations, although this is being investigated.