From dcf332f89659adc05673c585ffae3d2db2076db1 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Thu, 14 Nov 2019 20:57:34 -0500 Subject: [PATCH] Update docs: angle_harmonic --- doc/src/Eqs/angle_harmonic.jpg | Bin 2005 -> 0 bytes doc/src/Eqs/angle_harmonic.tex | 9 ---- doc/src/angle_harmonic.rst | 45 +++++++++---------- doc/txt/angle_harmonic.txt | 77 --------------------------------- 4 files changed, 21 insertions(+), 110 deletions(-) delete mode 100644 doc/src/Eqs/angle_harmonic.jpg delete mode 100644 doc/src/Eqs/angle_harmonic.tex delete mode 100644 doc/txt/angle_harmonic.txt diff --git a/doc/src/Eqs/angle_harmonic.jpg b/doc/src/Eqs/angle_harmonic.jpg deleted file mode 100644 index 352be0b5440fac4e5f896212eca6a2dc6ccfd02f..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 2005 zcmZ`)dpOgJAO7xUB4(Qr#)Q?j4jmDiIvXq5Rya$B={PRsPOc?X*1=G6+4z+@40EcJ zJ43Ef$fVqgsg&znBA1ktetypR;o_&apAgOE zuQM{%ch;@2YOnNXMqN?Zj$gsd(!~1UndyU3TG(FlT$@A2s=*pKeaa>mQ|~Zovd8k8 zZ=@(eNSl_I1x!yIIM@tXEk5+2(*xGY?mpd}@g|)tQ?3!@Xhj#12a-c;iinEzVTU7D z@E$fLoLA{Jx}3YvKn#{-ytoNVJ8M`Un!Q2vuIqnE#`qE-i%VX2VuoJcXY_?C&wwRd z_Yk&i4?QX5>RPQ!9LV;(8Mm2*h~uZ_ktcpn`}AqwUb*sNbDIiD8tvj_WFWu1-pCT) zHY<(U0?ef1-?+fmn-?Ep=2#p#tdVQ)4Y*{?GQD z@a|t3E&QZQj(ceDYy|Y26Y*DSb5lD59_L!%=Lw*V1v2(RehQ@l8*|~UeH`kg4j7)(GU59W< zcSuoFadCE~Z$Xk9QmfaNODj3Lc3JGZd^Sim$V>~~3hu=Se&E>~M2 zH0N$y6(+IsyoLf5h$6BYG6U8GM8=fOh8Ah!;r!8C&kvq$o2abS_VK|9+C8F+<$o&PH-p4f4oy7@H5*y5lc)pMSdV zR;t0;At2;^GQNCH>l;^nLKk5mJm_r4ShT+_opSr}dMl3&O?8Vl%h{Fkm}FS$C1G2a zOS2v1zg(CutQaOTCf;SQXlJ!sT=X_?B-Y2xVFa0oMt;f5TFlxGE9m-{=4EyucPL?4 zpL0MlUp!JUAvv``cc#&O)v(^&0`t=2n3p<5%AYISjZlkUSJjh!PgzGh@;(x=4}uc3 zt5p#W1!=7O7{a}1_N@r@8QNLn1vSn9FZ?p5Z@gc{G^!|lpeaVlH!k);)q-M~Y#?b1 zs1|H01uts_4x8w>-LcoG6rPk>24tUc?d^P&?^Pq5Y04A11n@q&LJv2j#@demz`rCh ze8;Kcm{q#&NE~L|v0W&sE3kefTXHQcg?0HTj;95+!LdO|mn)-UwYIB+ba=2Se?#ug z5%@;(pI3@ZnBiO(|8&8=R&o7qD}8TKiA71=U-Xg-MQg{6HsxBL@@AEuAt9yto5nrG z%m-s#=DqX{rz)OBP!|40=n1KkhgbG*^zzX{q|Jnf_d$s1YD6#Xzte}~T&;54wQbTR_*Br^Kiv*#uexcXpl~_HvUF!75SH-`Y z#boc;fV4&Jz0|Ps-o9ZB-@&lH8%YYhUyaHHGcyqmps65TWC79gzkT3SDY)h6mM?z= ze`m0&a{?)-hF-UMv7uKT(-~y{?CL-%0VJ#;8r)SDpf?V;Qd+;hSjeWVI{gZ0LZ~eM zz1N(`=6O(;x~;Jf?ZPkmC|Blu3Gvw@^GmU)@+0| z&?Mu>S2zoJp8gFnXPleT-!z8cUiHW|hM;3+W~Qd6$IdLplsuGG%vfJm6=$wRE8YKt z!#*pd9mUmg{TsMcfufd$U^WL|EFDfvM&uLG1u~HcU4jWyK3(*Anogc#(Z^gris#+J zHAlcds4-F`p(9K`5?QOCswE?TA0qKZR%$WS2CcdptM%li{X=~dv4>l9>YH`$ev2rP zbGiOJC)aBvA-}_Mp2_lj^d!l#ALsFjE9~XpOTY&SX>WDEwHH6u@pLi|^^L~Nh5u3$ z*64<#`ekj7Y!4Yz@o|`f=~cdVX%xxc{QM@~Iw`8a#nU a-AI(ug09UxYtH>s``_E`pW1WZ8u=fX(30Q) diff --git a/doc/src/Eqs/angle_harmonic.tex b/doc/src/Eqs/angle_harmonic.tex deleted file mode 100644 index c566376b5b..0000000000 --- a/doc/src/Eqs/angle_harmonic.tex +++ /dev/null @@ -1,9 +0,0 @@ -\documentclass[12pt]{article} - -\begin{document} - -$$ - E = K (\theta - \theta_0)^2 -$$ - -\end{document} \ No newline at end of file diff --git a/doc/src/angle_harmonic.rst b/doc/src/angle_harmonic.rst index 87b71ad9ad..1066621729 100644 --- a/doc/src/angle_harmonic.rst +++ b/doc/src/angle_harmonic.rst @@ -1,22 +1,22 @@ -.. index:: angle\_style harmonic +.. index:: angle_style harmonic -angle\_style harmonic command -============================= +angle_style harmonic command +============================ -angle\_style harmonic/intel command -=================================== +angle_style harmonic/intel command +================================== -angle\_style harmonic/kk command +angle_style harmonic/kk command +=============================== + +angle_style harmonic/omp command ================================ -angle\_style harmonic/omp command -================================= - Syntax """""" -.. parsed-literal:: +.. code-block:: LAMMPS angle_style harmonic @@ -24,7 +24,7 @@ Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS angle_style harmonic angle_coeff 1 300.0 107.0 @@ -34,22 +34,24 @@ Description The *harmonic* angle style uses the potential -.. image:: Eqs/angle_harmonic.jpg - :align: center +.. math:: -where theta0 is the equilibrium value of the angle, and K is a -prefactor. Note that the usual 1/2 factor is included in K. + E = K (\theta - \theta_0)^2 + + +where :math:`\theta_0` is the equilibrium value of the angle, and :math:`K` is a +prefactor. Note that the usual 1/2 factor is included in :math:`K`. The following coefficients must be defined for each angle type via the :doc:`angle\_coeff ` command as in the example above, or in the data file or restart files read by the :doc:`read\_data ` or :doc:`read\_restart ` commands: -* K (energy/radian\^2) -* theta0 (degrees) +* :math:`K` (energy/radian\^2) +* :math:`\theta_0` (degrees) -Theta0 is specified in degrees, but LAMMPS converts it to radians -internally; hence the units of K are in energy/radian\^2. +:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians +internally; hence the units of :math:`K` are in energy/radian\^2. ---------- @@ -91,8 +93,3 @@ Related commands :doc:`angle\_coeff ` **Default:** none - - -.. _lws: http://lammps.sandia.gov -.. _ld: Manual.html -.. _lc: Commands_all.html diff --git a/doc/txt/angle_harmonic.txt b/doc/txt/angle_harmonic.txt deleted file mode 100644 index b632f68478..0000000000 --- a/doc/txt/angle_harmonic.txt +++ /dev/null @@ -1,77 +0,0 @@ -"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c - -:link(lws,http://lammps.sandia.gov) -:link(ld,Manual.html) -:link(lc,Commands_all.html) - -:line - -angle_style harmonic command :h3 -angle_style harmonic/intel command :h3 -angle_style harmonic/kk command :h3 -angle_style harmonic/omp command :h3 - -[Syntax:] - -angle_style harmonic :pre - -[Examples:] - -angle_style harmonic -angle_coeff 1 300.0 107.0 :pre - -[Description:] - -The {harmonic} angle style uses the potential - -:c,image(Eqs/angle_harmonic.jpg) - -where theta0 is the equilibrium value of the angle, and K is a -prefactor. Note that the usual 1/2 factor is included in K. - -The following coefficients must be defined for each angle type via the -"angle_coeff"_angle_coeff.html command as in the example above, or in -the data file or restart files read by the "read_data"_read_data.html -or "read_restart"_read_restart.html commands: - -K (energy/radian^2) -theta0 (degrees) :ul - -Theta0 is specified in degrees, but LAMMPS converts it to radians -internally; hence the units of K are in energy/radian^2. - -:line - -Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are -functionally the same as the corresponding style without the suffix. -They have been optimized to run faster, depending on your available -hardware, as discussed on the "Speed packages"_Speed_packages.html doc -page. The accelerated styles take the same arguments and should -produce the same results, except for round-off and precision issues. - -These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, -USER-OMP and OPT packages, respectively. They are only enabled if -LAMMPS was built with those packages. See the "Build -package"_Build_package.html doc page for more info. - -You can specify the accelerated styles explicitly in your input script -by including their suffix, or you can use the "-suffix command-line -switch"_Run_options.html when you invoke LAMMPS, or you can use the -"suffix"_suffix.html command in your input script. - -See the "Speed packages"_Speed_packages.html doc page for more -instructions on how to use the accelerated styles effectively. - -:line - -[Restrictions:] - -This angle style can only be used if LAMMPS was built with the -MOLECULE package. See the "Build package"_Build_package.html doc -page for more info. - -[Related commands:] - -"angle_coeff"_angle_coeff.html - -[Default:] none