From 0443f40ccbb0960869e2ddd4feda0bc28893fc65 Mon Sep 17 00:00:00 2001 From: phankl Date: Mon, 15 Aug 2022 19:24:55 +0200 Subject: [PATCH] fixed modulus --- doc/src/angle_mesocnt.rst | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/doc/src/angle_mesocnt.rst b/doc/src/angle_mesocnt.rst index 4503731daa..1e648362ef 100644 --- a/doc/src/angle_mesocnt.rst +++ b/doc/src/angle_mesocnt.rst @@ -28,8 +28,8 @@ The *mesocnt* angle style uses the potential .. math:: - E = K_\text{H} \Delta \theta^2 \qquad |\Delta| \theta < \Delta \theta_\text{B} \\ - E = K_\text{H} \theta_\text{B}^2 + K_\text{B} (\Delta \theta - \theta_\text{B}) \qquad |\Delta| \theta \geq \Delta \theta_\text{B} + E = K_\text{H} \Delta \theta^2 \qquad |\Delta \theta| < \Delta \theta_\text{B} \\ + E = K_\text{H} \theta_\text{B}^2 + K_\text{B} (\Delta \theta - \theta_\text{B}) \qquad |\Delta \theta| \geq \Delta \theta_\text{B} where :math:`\Delta \theta = \theta - \pi` is the bending angle of the nanotube, :math:`K_\text{H}` and :math:`K_\text{B}` are prefactors for the harmonic and linear regime respectively and :math:`\theta_\text{B}` is the buckling angle. Note that the usual 1/2 factor for the harmonic potential is included in :math:`K_\text{H}`.