From f1a79e7df5c2c07265a331dfac0a26e95ec8ebb7 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Fri, 11 Oct 2024 19:55:28 +0200 Subject: [PATCH] Update fix_adapt.rst --- doc/src/fix_adapt.rst | 62 +++++++++++++++++++++++-------------------- 1 file changed, 33 insertions(+), 29 deletions(-) diff --git a/doc/src/fix_adapt.rst b/doc/src/fix_adapt.rst index e322b167a6..1b5282f741 100644 --- a/doc/src/fix_adapt.rst +++ b/doc/src/fix_adapt.rst @@ -331,6 +331,8 @@ sub-style name. The bond styles that currently work with fix adapt are: +-----------------------------------------------------+---------------------------+------------+ | :doc:`fene/nm ` | k,r0 | type bonds | +-----------------------------------------------------+---------------------------+------------+ +| :doc:`gaussian ` | alpha,width,r0 | type bonds | ++-----------------------------------------------------+---------------------------+------------+ | :doc:`gromos ` | k,r0 | type bonds | +-----------------------------------------------------+---------------------------+------------+ | :doc:`harmonic ` | k,r0 | type bonds | @@ -369,35 +371,37 @@ all types from 1 to :math:`N`. A leading asterisk means all types from If :doc:`angle_style hybrid ` is used, *astyle* should be a sub-style name. The angle styles that currently work with fix adapt are: -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`harmonic ` | k,theta0 | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`charmm ` | k,theta0 | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`class2 ` | k2,k3,k4,theta0 | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`cosine ` | k | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`cosine/delta ` | k | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`cosine/periodic ` | k,b,n | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`cosine/squared ` | k,theta0 | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`cosine/squared/restricted ` | k,theta0 | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`dipole ` | k,gamma0 | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`fourier ` | k,c0,c1,c2 | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`fourier/simple ` | k,c,n | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`mm3 ` | k,theta0 | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`quartic ` | k2,k3,k4,theta0 | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ -| :doc:`spica ` | k,theta0 | type angles | -+--------------------------------------------------------------------+-----------------+-------------+ ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`harmonic ` | k,theta0 | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`charmm ` | k,theta0 | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`class2 ` | k2,k3,k4,theta0 | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`cosine ` | k | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`cosine/delta ` | k | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`cosine/periodic ` | k,b,n | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`cosine/squared ` | k,theta0 | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`cosine/squared/restricted ` | k,theta0 | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`dipole ` | k,gamma0 | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`fourier ` | k,c0,c1,c2 | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`fourier/simple ` | k,c,n | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`gaussian ` | alpha,width,theta0 | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`mm3 ` | k,theta0 | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`quartic ` | k2,k3,k4,theta0 | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ +| :doc:`spica ` | k,theta0 | type angles | ++--------------------------------------------------------------------+--------------------+-------------+ Note that internally, theta0 is stored in radians, so the variable this fix uses to reset theta0 needs to generate values in radians.