From be93ef7b2003ac18bb9312afea27a59b18ea6150 Mon Sep 17 00:00:00 2001 From: iafoss Date: Wed, 25 Mar 2020 22:53:58 -0400 Subject: [PATCH] update --- doc/src/pair_mesont_tpm.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/doc/src/pair_mesont_tpm.rst b/doc/src/pair_mesont_tpm.rst index 7f6926e85d..996277f802 100644 --- a/doc/src/pair_mesont_tpm.rst +++ b/doc/src/pair_mesont_tpm.rst @@ -16,7 +16,7 @@ Syntax * BendingMode = the parameter defining the type of the bending potential for nanotubes: 0 - harmonic bending :ref:`[1] `, 1 - anharmonic potential of bending and bending-buckling :ref:`[2] ` * TPMType = the parameter determining the type of the inter-tube interaction term: 0 - segment-segment approach, 1 - segment-chain approach :ref:`[3 `, :ref:`4] ` -The segment-segment approach is approximetly 5 times slower than segment-chain approximation. +The segment-segment approach is approximately 5 times slower than segment-chain approximation. The parameter BendingMode also affects the calculation of the inter-tube interaction term when TPMType = 1. In this case, when BendingMode = 1, each continuous chain of segments is additionally replaced by a number of sub-chains divided by bending buckling kinks. Examples