From 884af7e88cba1e577ee1585b0df3df5d1b433b34 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 6 Dec 2023 13:53:45 -0500 Subject: [PATCH] update list of supported pair styles and parameters --- doc/src/fix_adapt.rst | 2 +- doc/src/fix_adapt_fep.rst | 20 ++++++++++++++++++-- 2 files changed, 19 insertions(+), 3 deletions(-) diff --git a/doc/src/fix_adapt.rst b/doc/src/fix_adapt.rst index 9cfbef7a11..f857a6333c 100644 --- a/doc/src/fix_adapt.rst +++ b/doc/src/fix_adapt.rst @@ -221,7 +221,7 @@ formulas for the meaning of these parameters: +------------------------------------------------------------------------------+--------------------------------------------------+-------------+ | :doc:`table ` | table_cutoff | type pairs | +------------------------------------------------------------------------------+--------------------------------------------------+-------------+ -| :doc:`ufm ` | epsilon,sigma | type pairs | +| :doc:`ufm ` | epsilon,sigma,scale | type pairs | +------------------------------------------------------------------------------+--------------------------------------------------+-------------+ | :doc:`wf/cut ` | epsilon,sigma,nu,mu | type pairs | +------------------------------------------------------------------------------+--------------------------------------------------+-------------+ diff --git a/doc/src/fix_adapt_fep.rst b/doc/src/fix_adapt_fep.rst index 1b2298cd96..474fc799de 100644 --- a/doc/src/fix_adapt_fep.rst +++ b/doc/src/fix_adapt_fep.rst @@ -123,19 +123,29 @@ styles and their energy formulas for the meaning of these parameters: +------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`born ` | a,b,c | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ +| :doc:`born/gauss ` | biga0,biga1,r0 | type pairs | ++------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`buck, buck/coul/cut, buck/coul/long, buck/coul/msm ` | a,c | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`buck/mdf ` | a,c | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ -| :doc:`coul/cut ` | scale | type pairs | +| :doc:`coul/cut, coul/cut/global ` | scale | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`coul/cut/soft ` | lambda | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ +| :doc:`coul/debye ` | scale | type pairs | ++------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`coul/long, coul/msm ` | scale | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`coul/long/soft ` | scale, lambda | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ -| :doc:`eam ` | scale | type pairs | +| :doc:`coul/slater/long ` | scale | type pairs | ++------------------------------------------------------------------------------+-------------------------+------------+ +| :doc:`coul/streitz ` | scale | type pairs | ++------------------------------------------------------------------------------+-------------------------+------------+ +| :doc:`eam, eam/alloy, eam/fs ` | scale | type pairs | ++------------------------------------------------------------------------------+-------------------------+------------+ +| :doc:`harmonic/cut ` | k | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`gauss ` | a | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ @@ -163,6 +173,8 @@ styles and their energy formulas for the meaning of these parameters: +------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`lj/sf/dipole/sf ` | epsilon,sigma,scale | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ +| :doc:`meam ` | scale | type pairs | ++------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`mie/cut ` | epsilon,sigma,gamR,gamA | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`morse, morse/smooth/linear ` | d0,r0,alpha | type pairs | @@ -173,12 +185,16 @@ styles and their energy formulas for the meaning of these parameters: +------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`nm/cut/coul/cut, nm/cut/coul/long ` | e0,r0,nn,mm | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ +| :doc:`pace, pace/extrapolation ` | scale | type pairs | ++------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`snap ` | scale | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`soft ` | a | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ | :doc:`ufm ` | epsilon,sigma,scale | type pairs | +------------------------------------------------------------------------------+-------------------------+------------+ +| :doc:`wf/cut ` | epsilon,sigma,nu,mu | type pairs | ++------------------------------------------------------------------------------+-------------------------+------------+ .. note::