From 2ddc39d3d8198eced11bc476cffe9c4d48848c89 Mon Sep 17 00:00:00 2001 From: athomps Date: Mon, 23 May 2011 19:09:02 +0000 Subject: [PATCH] Added equations for inverse box transformation git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6214 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/Eqs/box_inverse.jpg | Bin 0 -> 4570 bytes doc/Eqs/box_inverse.tex | 14 ++++++++++++++ doc/Section_howto.html | 8 ++++++-- 3 files changed, 20 insertions(+), 2 deletions(-) create mode 100644 doc/Eqs/box_inverse.jpg create mode 100644 doc/Eqs/box_inverse.tex diff --git a/doc/Eqs/box_inverse.jpg b/doc/Eqs/box_inverse.jpg new file mode 100644 index 0000000000000000000000000000000000000000..dabcfb7b5d9d3ee97dd9736428bac4fb64f9d33c GIT binary patch literal 4570 zcmYLM1zc3k7Qeg8?$Wt{l8Z=p3zCw8z>?CXASETK!~)W(G)PN#xRih>AtfNaf^@0~ z0+Pa8zUTMe%F<3;+=h0N!66EgZdSxVQbY=f4!32mV(BB$WsG zmk0h_sa}2o6ajn~3=V_h!{KlO0(?SZ1PL(_5%G0ODl!Bk9WxUn9RmaMCO-%A1}`fE z1E&NRub_~qs3I`uG z+cfKtUsMblxFOFZjRoN1?U}U_t5$U-eewYD$(wnCvU|^JEb{;*gAKLV{XFY0NboKC z!}*Mo+_W--xt}h{Xfo-X8jN2@f|T`ePAnRHlOj!rfQ=v+N$5N6@Su2Dq+*(FYR#di zsnljK@YN3{;Q`RL^msmnOH%eXNu&LC0dY_!? z*`_b9?hEhQ@THg-*9N$>VaSseE zQUvnlGr1@gqN7`sw~vg`-R{c!+YV}>s;`h{BU~;K*)biCJRjIrb;S@rOeS(1c1Bd@ z<74)V_A_`;4ma`E*+rbcEREUc13k~DZ~Mg>b2E|4)00VjgTP3Kgc0irqlpl`Jvzd{ zEvG%dgG2kR>kgiohKSyKGam#Zb{{duvjiA-of}`BL;%Z7^Q3(d3MLL zQesEf?6?~eGfp0JIdcuVTF|WLTmt6%K^+&4FYCtzG`7Q9IDg78r1<0>eQNq)XPOn* zZWxwv@MC!5RYv)YVYWzr3B#ym+hmvsbz*qZ`T10@*G6DEYRYJW+b}Gis&*st)3WiL zhUBtH&h7oaK;I4NC(V(c){W-|C0AZ0ZSSyUcQ@on4ije$cVwcuF%jIugv9oRDbXyu zxl=iFwR6nQ7vSPcpsycXgBd6Ode^93j7&@u`9=G%jZ>5VPiOB*^E*|ay$;t@TdL2l z9~SwePvwE*^13UZ8M{MY#eixzF`QO4-I)9=qZ>O*pYSlJWltRXGsd?Jw4j7CX}N}v zo6du9aUw~MixMyx4u!(txX{5h5CEp2WPu2g-w;;NvCgML%DV^SAq4Muu!^8w)GdoD z>e{?4So#|}FgftvCpSv@<_Q<*#m{4yBERT@PEKA-gh z2dZ}3EbB%!gQT#cThP?&o$G!3{95GehDzo zd%ePMNMsNl%p}mA0z4H~xcVe+^~?0%s;(|0jZGrJV-U$@CO5xlmT>Kt2*^q-LxRk# z__v>$mK&^geygPM=6IkJZKM0OP^#k9KC)$=!ATL0+P7WT6T~8gh{e#lS>#5IpgRqV2mJVpCu0b3*fzk{(uxmh8ettIQ5A3b)gG1>Ri zD?&;eVPE%K;Hl%c8&&OARtp>4_Q%*BjXm}>J}^GelR=Cq=bl!c@}BZl$2b-Isc^l2 z>R@V4Gp(Gfe5O-)u;VSbHH7G$B!R6&i%At|MY(lmrp9*?_Q(6fnd!rK7aF_72pA^1 zY0ZuYYWCbs7NJnM^bA9D@i&8!c7A`rV>v^wT>4o?arkmSmBIeneA!5N>`6syMfUz~ zK0Zv8^geGDldT$jI#>e~A^VL);$XDjE~Oygt*`k_Gvf6BNn zx;tUy>lxQRI%c}aoN}5x(d)(_syX7*C=e<=gUin3{GY!4E_+ym$5k?J>D&^eBWpB3 zga)M6&00Jzdg$+b7`y~13*v0sa<^SW`kfyvMo_;UaHlSEmEo_acBLtE2}}FhBBy)W z;7WTMOB`d{D!dzK6DMve)A{@HFRC{`@FDFBRvnMA7bvgk2wT*t5lQ?|ISW=0wX4DH zZI~1h-L2~eZkv$ZrJVPa%y`Y;o?C1E<0J~})Ke0WPnQNcmXcz^hCi`vIDKuIH(pBTu#5)vU%K9_Q{hr+9k{09B)dGo*zyIGZGKVLs zmrCbvey7!4a|>Mb$SP+k&T>b1A{OQF6jW6`8w{1NRf>DHULd0}F9OD?rTi2p34=@0 zv*_Ig=L9{er(5kGxdEP(lk(E6FsFx2Te`(r4BThL4p7-y=i}pu8jG;5=Phl;H3e&f zXAI+q`|iOla&Gi|7jZinP$N(_yeiW-||Q~~A&o*mP3X;|5v zH{AMVx;eR#$v)uE|M|SCKqY<*2qcv1R|FT)g>>1QZYajA3G_x zAOda)DY{WZykg_MZf`PXJj<9@F44fr@}M0{UNaXo*URVBaI ztWJM$rTVvb16)`51I8f`9u9u4ign!m{SW?Fle@n_3I^xP*Nt_dmiGQF_2kGe+?dD@ zL|Z$%RYN_d4bA1pm^Ik4PmO^shAFw|cViYUDET$!o21Pt71bFIs#d>=>{k4htv-+) z5hR6woIg?2ON^L9wI@+ONrH1Ebp^7V--B4b1kZZE>E;(x|wiSujZt)RLv$#!o@Quc8&+4LB@{6^&l;J&g zOn2j}S{g@4UHG~L%p&mA?4~y;2+Pu(P;hK{Kb>12hzbl=eWr*9G?^FW-L)9*HpnY= znEif;zz|aCd-{gd3TaYL4{OQ=KVeijtu||Mr>H{F9OEt6dFztgaLWw{_0R78btYj> zT)wGbnYgCUFGkm>Z+hbgUh^9`8uDm~?H!SLAdD_+F})o5ly4+5RF0r11#+-1oj)DB z`rFHC9c*mw0b{n6J%T2tI_DL}<#@#4g7{~kAzV*&1RP6+xF<;aDA*0o7Ix*BGpr&qQAuj+=bA{+ z@qtDhExJ&I9$Q*`jrDncPaf+pEgQ5af(dx1Zr58FrbNhYEkbQ=vvcI!a?YYi-HQl4 zR)`DuQw^2VqkN6eO``ZYHov}DPdsj*%EAg(=T=`MqXa$W=VJ=lX-DLY-1WG?0rZwd ziC=AE7)^Pp{WENV6T`dR(uYn?aVov9_4=JiTp8tcYHjo_CCp8!74_tyq|rwhi?C$O z>jy>WFst#&sY;LFmwQIh$9bazCmx^)lU^=CKtP?M)XctSARVOJtMJpi`%8WWqcMhz z>^_yO7hBnr714u3usfLw zvFRYojsSBZJlgtZeae8X75)#ipQMx4No_{zUWhV^Z z_(m8wwKAaQXuI@P4O~fS2sey_gf8A+*rbuhSW|xd+^XC&Wvc30M#(-mC4k%?c)X83 z0-fDybyI@nHB*E=jhVXhW~K*!7Hv5vW3H-Fvq$`jvcQbeqA2Np=6b$ne#Iha5>F#x z6sYxDw7bb@a{SxKQHN`yL^oUA>%T-OKsMS%U97d$xxO?!}-o9kR6|)X5;hM&eEunut{89G&nN;=IQl%7kgSi$?5X0kr~h7 z`<=Qhu38VkN;8~_kjR86y;hGdzd}`XG<~Y@AKnyaC~zmda+T)YT%&hE%z9A|L3__n z2H4j!P8msBn=>QxJqxSFG)Caak;B`d%}a=8lryMZK86T&U8bDn_>4&DwG60RCW0f< zgqXW5rkN0FuLJFySkXAU<9+S@#pnb~McaYp89Q@b>6k`-@2pjD3OICES#UgfA~aap zq%+12&NOg6tOF`J^2CT8J1HwdbbLFj_Bnijme6BFR*mdQNVJ#RA}Vr87Rq&m1}POL z=LD&5`}8yp0xOVv?JztDjAu|aDP-f8rvT&G2Dc@9D-qJ Nly8{jxy0q{e*k;HJCFbX literal 0 HcmV?d00001 diff --git a/doc/Eqs/box_inverse.tex b/doc/Eqs/box_inverse.tex new file mode 100644 index 0000000000..68994f2868 --- /dev/null +++ b/doc/Eqs/box_inverse.tex @@ -0,0 +1,14 @@ +\documentclass[12pt]{article} + +\begin{document} + +\begin{eqnarray*} +{\rm lx} &=& a \\ +{\rm xy} &=& b \cos{\gamma} \\ +{\rm xz} &=& c \cos{\beta}\\ +{\rm ly}^2 &=& b^2 - {\rm xy}^2 \\ +{\rm yz} &=& \frac{b*c \cos{\alpha} - {\rm xy}*{\rm xz}}{\rm ly} \\ +{\rm lz}^2 &=& c^2 - {\rm xz}^2 - {\rm yz}^2 \\ +\end{eqnarray*} + +\end{document} diff --git a/doc/Section_howto.html b/doc/Section_howto.html index adab09b06b..655adf939a 100644 --- a/doc/Section_howto.html +++ b/doc/Section_howto.html @@ -825,6 +825,10 @@ factors (xy,xz,yz) is as follows:

+

The inverse relationship can be written as follows: +

+
+

As discussed on the dump command doc page, when the BOX BOUNDS for a snapshot is written to a dump file for a triclinic box, an orthogonal bounding box which encloses the triclinic simulation box @@ -1158,7 +1162,7 @@ discussed below, it can be referenced via the following bracket notation, where ID in this case is the ID of a compute. The leading "c_" would be replaced by "f_" for a fix, or "v_" for a variable:

-
+
c_ID entire scalar, vector, or array
c_ID[I] one element of vector, one column of array
c_ID[I][J] one element of array @@ -1352,7 +1356,7 @@ data and scalar/vector/array data. input, that could be an element of a vector or array. Likewise a vector input could be a column of an array.

-
+
Command Input Output
thermo_style custom global scalars screen, log file
dump custom per-atom vectors dump file