From de166a3d168e1445f371ec71f203a4289f1d82f2 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Thu, 14 Nov 2019 16:19:06 -0500 Subject: [PATCH] Update docs: angle_cosine_shift --- doc/src/Eqs/angle_cosine_shift.jpg | Bin 3933 -> 0 bytes doc/src/Eqs/angle_cosine_shift.tex | 9 ---- doc/src/angle_cosine_shift.rst | 36 +++++++------- doc/txt/angle_cosine_shift.txt | 73 ----------------------------- 4 files changed, 17 insertions(+), 101 deletions(-) delete mode 100644 doc/src/Eqs/angle_cosine_shift.jpg delete mode 100644 doc/src/Eqs/angle_cosine_shift.tex delete mode 100644 doc/txt/angle_cosine_shift.txt diff --git a/doc/src/Eqs/angle_cosine_shift.jpg b/doc/src/Eqs/angle_cosine_shift.jpg deleted file mode 100644 index d9929939c8a3c9ebedb7ba50d8bf9ee84d5df564..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 3933 zcmb`KcT5wGv%p)56s1_oo-GsC!+WS6C76+u7{1Qe8w2#5lLh$u2- zk0Qge${sRWhENKq%(6F+U*3DkOMZX7a7{Uxb12MuGi#-&ewT# z&c!R4et7Y``aD+FB=U;Z;J9hyhbw|pITQQttUD&&ma(?}d~hS^V}YM}$Hf6QKiiLI zS51?GJ;%T5l^0Hyv%2wH35g9d{lkvY65C$62BM2RNrL?w_$Z4^bOPzup3+YmYtj)|kui)BUaL!4k19H8r{@)h1 zl)t^l*%08bHpo^qm1Ta88K=s)hHlRXhXMQM6}@R)!uYt>OdCff-$bFJrEsnLe~p8+ zX!VXLPH*cdmdzrT^yoK(PLV2(9wg>h+^NdTt#w!uATk_UOGzdLUnSBHm(@M?M_Ht4 z0jue2sl01EW|dtArjhKJiHfaM$5x7*;- z<{s}c;U%_4V;IZ_Ehv|PZCiz{TfY;rL-;FP;FDXwmr|;)p!}5yD%snAp)4?L+8<8R zbmJ&%rzE`gd60hniHQT=BWZYPabN9`lb2CC?0ATeFX=m$j87w@Nt0fk;0tKc<`sj- zv1k|F&7MoTMdRZdX^QpEji6zanQQ9==bd`lnGkN1SdyJ&a@&j(tJk3v|6AA4G@J3G zzxpxd?Ov_L;JA*;o>s?qUWuCS-O@ErTXhW1Wq%6y^uVyy|kdJx|o!Y8A5iPDy3`k}vfgonPLjmZxZK415xX7pl< zkEj#X&d1C=g^sqAFoJkKgwHF>t;-dKWVC|@jXu=s=;+=}pk?@rCM63b^ihkZV%him zt>f0KZ3%8_=Q{a5WM(;CDKqoq-jZvI3)dFE>a5)jvt7%P0Pp2u7=yWkOB z&fu7mz1aa2{qk|YV$p$E$}gO#ZHsfFS9uv-ZMgbzWbp)G!}w5PQ2zvAsy%jm$qFfv zE|{gnk5mzSe%;Y^Q+J_zY=3f1K-6{ZoK=j!$o1D-4%KQ7PilkTsD=So2Q<_+8K3$> ziwP2fgk(qMPe|)3j~!$##4GiFc8*382k+p5#<8i;U_VezRVbwsDZ{n?&XWVxTQ5sZ zm!KE&Y(yTBmKB}`559xMzwGnRg)f8^?T8xQzbHVAzi+4!-fmwrb&D7G!u9RBwFbp5 zQJW)#sUBrJKI+kmDn;L~bXIwOW_L=SZPIrjpUa`-rd(L#ktDb5K#_Qw<6MAU(IyFH z<#+JXPByR9j_TXk=XLz^?Y3|^BHh+)-eqf8AR_Vv5MZaHOATS<*2nw$&>@Kl(gC->ygMP12L(f7ocwf;$?#} zYB5!-ynzeCUmVS|Ky5`wf`4Q2kZwCSCOhSXO2!~J*il+?wL5@&H3MHz3kM|tD`&)a)KRGi9D z_}qfSZ)UHq{f$pN0eJKQjxL% z9Mt7JUm9Cc?}`75h|kDs=bm|8`bK3o?@iyY2$q;MEyeOYRbR>u^DNY#=#V>AzDFtz zFycNGp&mXWA~^K!mh;ZBt2a^J;ghC5*4at7WUYAr@*(geH&A3w&s6iuSbLd=8NU4B zFXGcRXmBz%5d7SFwN-GgLvW%J5+OJ2l0+zpdzs*bk3{HSw{Y^`iJ_=%R{9~B#R<3{ zwg^|TJ;WnxE=eg>ql!Neh>SRWYPcFj#B?anEvXNpVGocaH;DN};T019lU`heHMFKe z#;;>zTSb$kmgKThSwz6Tpb6j$50FGuCrRs2m9iYdQiw!SYp$U-pea!oJB$Ps-RKZj z_dD(Z=k3d#+x+W8`t5&fLXGa0)Z)Ocd!U+MLa86EBVN&-SO1Jv!poKFkn*KKWCjVn zn8=LvfnT^sW%XY@cP6K>e6wp}Mj+w5%nq71$<5w?Q*yyA@d`RoWr&=bJ= zt)p|pbgL>!YPX{ISO(_shia~g&d7um>F6T>fBp*N9)T_W)Ynm>cK5GBY66q z(9G|+uM2F3MQ)4v`9D{mR2pt6B^@n2)a;~&UM<<3l3BTwk!VK?ys;UdTxb-c+8xC7 z^fv?Z2TuaW1joeA$kXiocOA#uD(~m;nmI;a>JwJ6>Br_A`<(v?H&?ku- z_i=G2C1K4p!Fgc~_pFCUm3B8>9G*Q-*PJg>=ZA!jS)j^UW*xdXI*iNu(?i)4K+gauTV9t>O(oA~ITM_3=AF(t%^Z1&! zba~rpB>QD?A(1XzXP~u9Z1nj^=U*Lckf+!Fd70O?W;I&QN1DEmk6SIqMiTrMMZP1lCf|CixKbe;&U}UF|PwSfB<6ZZxjeg(h zmgVcYO(J@ZzQ}lwf;es6skRdw%NrA=$lb*rcs!!6PO`$(N>L-A+%`WPQ8MGk&&`f1i{ zKQGOHKO``z)w~p&SI4BU$I=0xwkcznAGTWE(wdi7TcWhCs~P)m#ak9%BOY39r%V|0 z#IO-v>Qk0<1^YXHkVKPmdV;PEFv444E0%qmflZpU5cw0p%ZL*|XXbNiz1>-lk+pg+ zXzaIn-bv}}azEAwwWVcn+9OS>hYU6UI;?f0X;o#GP#FHuc(ay~*8o3w@0|#yK*CNU zz%9~%f|(T#(z+Z@)%OO1HHh+-8L|nMp^yaPRW55A^?2-5lSGwWynL_=3E8tpI0I! z99VntT2(iY^W%>G+*bt;Xp*C~K#?{{s(Y-MP{ap?Z{``cYKZ91lGNXKb1m3sSl#Xk z0L7g)D}ZIWw`a#7Pd-s{BHHeJ>&G~U=kn4UZP=71uP*HJ1u}s;^5yMGrlnjxAg!-Ewc`%jQI(H(4?P3oL=pHbF8i?@iR)`x$U ztGEdA$Q7{QTTnhG>NRaWd0!`Yt!= zr@qQ%LG7hpz+oAe{uFr&XjJ(%5T|(-qNaGfWq_W;4TyFW)wP;8-oITcLDo$TG>#t) O4JZH4r2jE` 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: -* umin (energy) -* theta (angle) +* :math:`U_{\text{min}}` (energy) +* :math:`\theta` (angle) ---------- @@ -83,8 +86,3 @@ Related commands :doc:`angle\_cosine\_shift\_exp ` **Default:** none - - -.. _lws: http://lammps.sandia.gov -.. _ld: Manual.html -.. _lc: Commands_all.html diff --git a/doc/txt/angle_cosine_shift.txt b/doc/txt/angle_cosine_shift.txt deleted file mode 100644 index 65dc0924e5..0000000000 --- a/doc/txt/angle_cosine_shift.txt +++ /dev/null @@ -1,73 +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 cosine/shift command :h3 -angle_style cosine/shift/omp command :h3 - -[Syntax:] - -angle_style cosine/shift :pre - -[Examples:] - -angle_style cosine/shift -angle_coeff * 10.0 45.0 :pre - -[Description:] - -The {cosine/shift} angle style uses the potential - -:c,image(Eqs/angle_cosine_shift.jpg) - -where theta0 is the equilibrium angle. The potential is bounded -between -Umin and zero. In the neighborhood of the minimum E=- Umin + -Umin/4(theta-theta0)^2 hence the spring constant is umin/2. - -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: - -umin (energy) -theta (angle) :ul - -: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 -USER-MISC package. - -[Related commands:] - -"angle_coeff"_angle_coeff.html, -"angle_cosine_shift_exp"_angle_cosine_shift_exp.html - -[Default:] none