From db704a3ad7ca7e610af8581f39d60506890845ac Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 28 Sep 2009 19:50:12 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3189 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/JPG/atc_nanotube.jpg | Bin 0 -> 13402 bytes doc/fix_atc.html | 21 ++++++++++++++------- doc/fix_atc.txt | 19 +++++++++++++------ 3 files changed, 27 insertions(+), 13 deletions(-) create mode 100644 doc/JPG/atc_nanotube.jpg diff --git a/doc/JPG/atc_nanotube.jpg b/doc/JPG/atc_nanotube.jpg new file mode 100644 index 0000000000000000000000000000000000000000..e52958a7eca7aae06504145b666e471114fc03f7 GIT binary patch literal 13402 zcmb7qWl)?!v+m--o#0LgERaBOmtc!87BqNpSll5554u=zT_ms&2<{eK5}aLJgS!*B ze7DY(pXba}z1>yQGd=Ir)J#9q&(r+VDu4*2psWBuK|uj1Jy*cf8X!d8$Ib=-P*VeN z0sw#)01Olo0NS&L@>~HZ)BueCtpflc6q^65gHc}pmklZa5NQWM|1TTEXZfG7Yi-zYatGR5J|!O$ zEfe4WxIA?Mh+hE4QFzf%m;tE7C}_kePkjK|=fwh`qCJ29Z^6XCLP0}Eeev9?Mg%}X zLqkQwz(B>u#>9ADD-={TbN~i1CKCxMFPV&%`DZL02Kul9SsW=>)Gf( zlR-fRpb?WW@yeiUoscq{Lp~=J)O2HzvGB?MSvw_XefNX_;GsQFo*0c7AO%?Av#KEu z?_}FvutwvA{6dGZjAnK{@^!k4Q~NEKm;beHQ{f#LdT$+EE8+0sU%W#8%$#@Ui*lUC zwn@vndzmXR*`$sJ%3nA2^`917Wrw|_j$;~*!TpV*Cu5ll6#Hl45CAEAL%*P+N5(FH0R-0O^Au>sNtZd z@_$m5+=AccDA?eeDkejhg&ek#y8Ts5N4YtWW}27@bbH|7y{?c=Sm&5+q*a*@dBBT{ zbpdO8FZVb{iT37u&~E#*nL}Ps`?eeF-{j2gKImw~6QFXkCvwR&bMD7QI4sUw5Z4a+ zc|IdC{ST9!Cy>)n83)}H@JW(9N4Mb#;Ha!agLM0*G{L#Oti-U)g0+XQ4NiUQ2tSfK zsOJ=UX?>MaSN1LU4-1t^n&Zo!o*3VgP7dq$c)8@PR;!oJI@b;@@ zTWjryAk}hJ1-!Sz3VPC}-mCy2n&cG&)9&EbgsYT3Ba4cl5ex&51PpP%pg{)FDZPv) zn?WMU&`+hBAIe5UgKBN2DEJd>(*?H&?5-Hxw9N?^Uz4*#ixLCkbb?;X$M_ta+aTut zeK<-L+C!Y>m2fg6&0{=k*Zci+R6*au+Ioix04aRZL*qegp5yL%OX)gBohMU;Ce(Dq zycp?_wf@*Idzn*x*>h-)d=kX3^ZA6+-AnbM*SK+a-QPEX#5~ZYXu61*o)1gTTr3U>7_^qkSo>l%h9fPk_H`*XL*Da2MMzcF6=z zHJ>pxc(h@IrD>qVAo3zH1 zJ2!arAdDac$|DwBhk5k&C7(dC_>_&rpJn%WjHZ+=j($xc3Ee!-1=Lc3#tV<2Mw*9B zUCQqjlKgs&QgyY^Rg1>0>lkoq?ng2h2Qdho^xqdO$oj5U2eJEiYc*^&^i0^EC?AB~ zA#1y)y|8rLS0g?-Xioq;`$PPoy)(rEvic{0`X$!hsnnO$%q&T^7QSLt=(HDD$S4Mz zyrihfEdPM-f=2aklni^u-PlK`B#$rfwEEtcSX!K)h+<{Qes)a|V{7$yv7?DW?GNM3 zKS5Ue($i6ug*V3?YpcuW@2JB+2RGCl;xF)smoUD}gAgh?=96qV`NTzNCnXAYAHy@r zQ4h&NEJtJE2|eqCr{qPk6r3hbiIdtr$u>R64E%Dkbb+5ZGC0bD2Sjd!Te#nc5T+BZ z?%A8HLW}`#2G~lm4%spD>*b+zt@?-!#MC_6uT+u&=?)(hV|K^b+yk4+CIQ{1`>)~N zR>5|+?^d)@^75;6>H1#Jj*L9q#wd2I&EDP)aeLZjI3!RhwG1YaHL}%}m=RE%4cDSZ zV6&oPx_{C6U42bS#PT&RLjN^?wo+LB9q;F6^ppP!E z^$a1Bds8VngLgAr+%lXVFAnD6Rm#1}8V*TmMa3cSLIbxpo&ZXh<}rJF#)UuDXVWXqXf=jp(J{D1!Yd*{C_1-90$ z_b?lp3+JdnB+LVlxhz}p4O?YHx3u9%;_;vyAks!JEy#~9NqDpk?bL)X9U4Fq4j?^K zI;l+lcufECp}hKB-ymc5ul_6CcZKiRI`>*a3a)2|Q>9Uq8svDlI%TavR#2CK@mk_K zltbm67dQmNI&P_W@ub8!6aVu4X5Pm!eezrm@FGXmxH{4MpkGZeFijn<_Dx}~g!{Yp z574I+enkWu12p_oxWNQiQjwnAZem98Fee&k@At#a{-&tnUmyqjro2%f>RW232gS(S zbIt#KuqhXaXpN^SmRH_Mr~UwqMQxyQr> zc;YTuYL#55`cTtEt$vEQ$^ojEDx7ixmxHd?Bz5qiR2utNh`OjCUOkHNk~b44_0s#v z9j2nkGv?BAS(flYepFH0Uy!jIo;{Z8W;oRUdT3`eZG8+kegd>=+$8JB<-?7>dzO2v zwqrW*Qj|w2*{D*<^v^)ap~>Ow=BxI5E8n^1Ui$LxG%)=A;LR;e__qSH+>hsVdHt{P zjI%VDj(wy=ZHzYm7&FI5CTS=NdVEn&6HftaXk93#x(3LUeF?b5i32DO zC6pDauAKaD-g0V!vVnyotgE=%22z*$CJB2@<85WLHngon%00pEi-NP*ZV#8yj zWV06MtxNx9=+2YyzZBVLfnFX`U$j}sx#_#G_R9?`tsfLQ^GTI&P5V$cP&Y^QF(13+ zIOxkZA~qbPmRVT#W8$4pDHQ8pF|ZB7%k4Pd7gH$dGuesY98bKM2+nb0@U-2-QM&!2 z2eHDVoV!WD{)mVDE4(pt>cdz#q~*tj9iDRhfx_=p!5?*HS0&LjzVxYv+wt|0WS59^A(d)rmwK;>xd4 zfLtYAPZ6N$53R!6p&QnZ57<;uH= zZ&3a!{JV)$-H2V&-Wrf|3y$37!GX5aWHeKiuwwG>pa9KuT7thp0+c zZ_4+nOi9eL3Sb!PDaOB z_<3@^X{u-C$O=2j;)0`RXLUmM$wKucrRQAO0QK6ZaDbK1CMv-|&|Yy~MYW3<9nqUA zzD1wKX%1Ww!^UAZ=){t6SfEN{uANs+X`x=? z07FJ``jsU=?i$L!hZ}AtHg4rHxrt1CJjGJSyZRffb>8bxM*nhT%Fe;|Dl0h7Ildxx zejMI+N+5WXQvJr8Qp#|`sQm~3Sohm%*U8Xz*-Ss?n9y2Ci-txyT<@6U+h5}(x^1L5 zhE;+OttDDj@Z+34btA}LtQ;~uxCuvj?Mgt7-_ico%Q4zee&}V^kst_Kn24kh{C>syjw64cpkQ`Fo=N(P-XvVT ztS{m`EMyCN)Jd!yr2DhxKcQlEB(0oU`2bl86ALFe9zf4JeOE79`nujM^zfI#+9CVF z2J7{|f}5JvM0@*K1U7|h%dq%le!W`l?oG$Ve$LWN3$pS=F+7b*-B?MadtIx0Ph(K; z(+T$x=GDkquA_&=`frbb<}Wx5fgkL6h#-M}%X*v*%x{N5I@xd|&OYLsUVC07xaoaV zHQVOv$M})^IBO@r+%X@t8e>X`)u%Mwo|=1h%))6-j9-q;hpe0h!YaO|gj9m$%zYcd6QG)5Nyn4MueI-|!=M{m`rB5AxP}NM5Ik+73_w|_srG)S zwe00oY+wOAU+k^b5l=qJe;Dr2ErIdL)(jeI#-mtMWesIb+pzh|t_G$p$-;VNq3g1r zmF*5<8E6S%I&@4VA{%w88TMKa^Hp0vp8#qG8ozO(@+_U;uHV)j&vxvi;wQ_|TaN{I z*(Kf`#X2?I?CZ5B>lj@pxJG-}2KRnjVe7rOMLq)_<9SBCd54+yZ9i!Ww~@BEIsD}! z;VJiG`OMs2R<>zD!;hFo>#WY$yRnuc0=COP8tcGIV;NqJqCp>qKvDtLQi1aOU+W^5 z?A{%M&4ihh95Kk6Qb~*!Iam*Pn}zp)RO^aPH4d7+)8!L?dZg}HDdj3_;%#yv^Pi57ss8{aFNb8=~b zewRFCL9kp(1C3|UPGoppQU`KP3}tIGQ{VC()=Vjv!;H5Cc)%=mh)Ja#(S>zf&ExfB z7MP_?IvOvDZ$gCZ{y$EuV|zrwg=LCcP-bs|Owt2GrbQLM2ah`Aj3 z*~{aV!20`Agm+3*&APj98Gv4rhmjPjw76k^HWd=oQ)KkciGO%Gd1kGX6xKT@--G&j zANI4OmMvVkms$3GX#S6s(71$PxQ(Up$NJrdFweH((MIjh%^EGqu|6)7ReugFj>>AL zqg@w_?Ag=SXLY|U!ti!BMSW%k*A9v_IZ_P^TCoS_1Hn-{9E=5K02G!o4vB!q@AfoT zI`gRcae+av=-*(G>&BT$TOPw}Pm-_hdyiz-n&oh{#1#{9LD-KSNN*o+{rXn!MlFt= z@L?S<0}g^nL##M zLpr0NA#Gn+D24hkI}M(bX)pynw5IR|MHH?6mMZUuI{CeHux2dW0XOd}_K4u^)rWnP zT0}{{py0P|)zr2;db67#X`HU}bPA8?-^Fd`Lp_s-D1Ax^#dw7s@{BJObI6&`6& zy(+AX0DdD)q!iKoT_|wAf&d=&TgZptC1@D@m;0340GofB=Io?k-E=I8+yjLs zcZGnlR7w2q^!%J7XWr#m6B_W~7t`|)rA>#ry@QfBnmz%fM0*x1-Qn)6Re=SAyRI*Z z(leRFrFXEAojql*yUYVhr)D2IU&?6hUKQhhrMsBCrgG15XO&6jX00LK?&jRW60v7J z4)q^M^>~G=4&yN&oOF9}-7l=D)u~n!s^RIu-I(JC%H>7}I)-^-nI{k&wpG+%tMJjp zPQ^7L63KsMKTO4MWY455?G}_|{XfzxbNpgi=~KS6bM7Lp_R zsqCj!TD)bvRqa6#(OV%DJ9KuZ>n?$*UtwKU{`o7t1>!hu%vb`#iWB0;84ZO`09V!9 z24jDTxKzG7<4-vu;n_*ktKPJFUflhEQ{*yin%k+tOJF$w1Oq_W7i%`XG(P0>g~P(p z`wtx}6OM{Mhvk}>mB)EC``Wb}adt$bJJl~N$As6gAcwf04bm{i=!tk8)DGrb>5)hzmU%!{rPIqcPZMuSWqp zBXJ6C=}~1a?D6Y!Z?OLZW@}~VsNNG`Ci4jZfa4t0)rt*gkbk!kOuDOylP6VIa=LXr zA{L3Wws)+3^eyi~a)@mNR=~$T@onxw*XPVaD2xuB72muhgM#y4#-p2s^0^y01-gaP zsJGJXsxe*DSrrsk`$~&KmFT(;RKASqP2XvMU2<8FsZwL zMX&De2sNU!zaUrjkkwSz)PF4HTa0gbm;<0aJta-o61_)x<3j_37HKLHwflt!g=?7N zA>X)GTS7pA-M=r%7knnu^evR3QOa>l++61tWwk{$Vked?J6d`)*4ww(O;3O@np6T@ z;v2IO92Ip)UFvGui4s-Upa2wV$NYQEc-k6O`wd*uxmop&Xx&dE&bNT#K$Dm z?(ocIhAW%(y?g%1K5r{d+TtFj6!)BAu$vGE`G?7q%CIM~7wECBB&!ctgSYyJ0 zPL==1mbQ)GF=CIW>ra5;oF{+)x$H)iUA^!+G=Az#PxcwD9j~Sj& zP*yRsjhXlM-liK_&b%kTF`|5P@te5X%q z823)C`Nri?xb!kx^z8JTlfG>e;^1$P#MUhrFGp%a-*hC7Za;v@5{u?S1kvgNzcOi6 zF-qbb5`d6&ttG!CM9m}ld`wtS9j9Mrlw`@vE}i2NFld(RZ{UJ54V8-?_OrUIhI5yb z#EB5#ci?5kmdIxHa;!Nqa)qTf1^!9;(h#J}M|-lg)e&UmKKY)Ue4L`e#QGhdCwbw% zbyFjWKabc#&Im{xc%!jhfpt`!MF(91svDZRv6!FZCyz<5n)+bv;P2D;Pr1LLxPA9# zLh&9`Z$qn4D4rZ0Dx4#E)-EiswcCEtUi<_&S$IAaDv!fC9y3-duhTIE=w~qX_BqbV zUcR{RZ6YT;*es0=R9LUk;JKz)Kd6^=iSD2L1F39E2~i#wy}tO~qMu`$RPhk?4&KA_ z;lo#-CxBZJ4aII%B%A6XRN>)`e}NRMw|yH^U z{~QJnbI@7&?+39(0A*!_PXO}xdd>>f?`2Nn*fm(eM{0I!6m`2vBr9~mmi;3;g_fkr zyOTcV(eKvOI>EneT5`GoG{pO+%Sw}-IkVOx-#^|Mqxga7) zPLntLXy&}Xo-rqcz%StVkY7u;WbM1POR!VBjgYGCJ^vw-W1v4nC$>h!ge=X;YqaVglJ(JdNfANOel*2!q z>Ms}!H^8Q_!XX|cq#>;sWT(bob`(icPrOzeIa#C*>O=K_w!1E`rnzchN(B5u5wowB>FBfA>A)%VgVX&FUQr@ z=TG1;y9}!NU0DW4xb$nrY#=4g>apn#3xE6Y+W>|B+LH@=9hnb_I|D#pqc_nJ>&e&h za47)?#dV>IBjRU_la1{(E8C=#a|NewE$TOkimb!jX7l2F(jGfoVrh8 zOWW(MbSfECyG1XU!pU6$LKq*hhmMxp(Ln;nxZ6ro;wAJP!9se|_NX{Sj!La~_lx1z z8ShmZkvnXvP3GdmO||oE0VaOA2iJOAlPyaX`Oe~VG%6KL+#-2fgrAXURm%dfkC}g> z($g7o1WG0&K(5N1!n@1Bj08|NOOFkDpE6jk65YSKYjM>l;0gifuh29_-h4Fvd9k$t z%zpx8z}3UqIJehMX%NUzwehymf8^ytlh-cOxlaI;vI?*KWIiq>Z(vN_f!Q!oSUHq7 zP@K_9yr3)l+A?r2XylOoeVi1e#-7K*Mg)8FSD;#U^ATO@dcb3SU8Q<&)9#=e%u(6p zr(kL^QB5v!qP)KjXZ6-8`Sj(QNFNyZ5n!G;zsO)G6)j^Fzy_F$GNuSsG zU#$>Ognj>`p}RW5`HJ3go?G}N9Y}}=>%Q85So?B4XIeXXRhDVLBT0%AaYhYf<{Pm! zKxgnpTN1m~S4g6cm&}t()W@_6@_zzYvP3uX(doI?B)WMo>Q$^n_EqO{pCN4OD;Cm$ zPCI;O7nieKLP-uCL)zB$DAe}oAzmyfia7Me*E$VhZNs6{jpX)8Y@v%*aMwZC#-2f? zVRh_zm)O-A-3#uIL(-BDnH}t%a3INV&v6tqNa1CH zs8M$}GmH1S9e?L|0))>rMX|DQ24?GXs(v>i&QvIdCX9M=pd;eg1n4JhFthL-##5gi zMjc^C4AcGv&za(i4ZQT1<4!TzaaX3lk6tJY`5}70o@+wv7(5|J0r}P^0I74dyRD}i zOlLLZQ>(j^a3pC@aiwUXVx-Tm4(t`qSXtwuifKMqk({ps zXgf927AgvFZ4;}+{gwOD&d9Nq?gZ;O!KIA#g|PyI-Q1MM_s24f)$|y1O_(++naEP` z%W9f#?ARI+>fKbSO|3Px!bz#TcABSzKP5`YHX#{9(@d?02)hPmIV7TzGDP!WZR- z0&K$iSo|RcC1jt^T(XvZt3SeKp9I7vowBK@8By}K$34`}=zCI|0nNiFdw6 z+H19rKZR39yy>qd8e`>ArFYmDJxQSw-V*8CfL)+5P;<@ka7Xl#dmZUDW!05KuSBwb ziaCqT;2d8B_pg&i1J!&^Xb67Tnu|7MYptvs>ug($9Ozn9xP9Sr71>eg6siI9;fK{8 z1*<0cl zvPfd`;&M((4kkt-nePTTlN0Vd`uO_XVMCKCm1j3F4yBmAATd58?v6=XnZ4BF*MXNv z&>CPLfK(3E`xZ4Bb2!OnH1`A;@Hh!t8xGpLfwU`z0urWo)ibFX(PD>=Q~s6WlelP zlBHIBTko(Jn^g)?c!6kJ`Lcm=+Awct%6Deo!eF!GGP!_zsv*Umn4PYAM5V9Sc2$x`oGgYQ2M=# zOCTd){Wr5+NXx`o{mJS2nu^fCz}k0pOyke-1OqjaQqcX!!+dC`YkSncW2HLszBjTzXjp+ei0&j`zLiKP@qagum_JCjU#;ppkCbm!h%0Ll37?Jkv`h7L z62P=0ItjM)$;WO947NB-nX8G`GNgYrNaIz*o5#MoU!~G-*!eA?UNUX7@)bAD{Hepp z_eO8ZnXb;8t@cPOGRC#aopORUnbd5(QYA)ED(FJ72-|zG#Wt`6Zin`9vcejvjS?gi zQRJk_HgnqU^p>tTg521)4#hV=rLg{TR&phch#?JqaWs(-^~+_w?6){jfK5=lL;n=( zA*=kuG#*?CqvJV^)e4ivyQ0^Z4XNY`nDk}<%^_a(I=3|K*jXzZxw3E*@U3SWDr+}0 zDKj2_&Yaf=;(y;iR&N{#G;^$Hgb+d_HuepV<&Z}NqGyMVy1!gy<7?B62paNLa(A)N zQR061kNJAw#0cQu8B=`Sy}yHl@B!1l(3+ZrbTj|_KnfV z)xgAq5>Hz9ZK+3|mJV4tu=a6^c@SQfoRjy=<4H;-*c*IU;Mf#Pm{j7B%-0kA$4k(*UawEI5Q`Niu5ZZ%%;0WhBmW8M% zd7lBE$xO62EwF>xZB{(qTR_p&m#9dEGO^eB5$a}Nzb3Z%lZ0U4p>cHlf_}5S^Yim_ z;{r`Je|^qAFrBs6seIJ!_hLjp8OjHBLbnJqzuBx=QPJ}f9^Rz4Sd1L@tI)|Gv^1Zh z7{WIGL5z-$VWg1I%@5Zc5E@f#SsjYl&=>Q!@#{cxf-#TUA)RushBwY-MCHmp>8C4U zB1Z{OrD~v;B>OZRvHvOXFblN z{&P5AuTU7~3`g#$M#QsTg(N^2@pA4%=u_`V-*>gWv-Ur+9;?GFhGX(K_)L1KV{7(& zW+9&~xK&5jB1iGRj#?bb-osOYU!>R&l!OpkwJ0>zi3*8SVLSn@i5q7Gs0xnZhSn;i z8_G`j{np_vNcm~j0_RX2Z77OJ|586Zm|%%9Sad#j^>G=sRW?w&cHsAP_0RHC`Mu2r zUz7nP4hXv^g5G3Gn)C$mr`owhGpN4z$Pj{a>E|oZb)9IuvD0>BjM&Oxsnnv>CsYSTeod zHJ+>))A}C~$H;%VgWm5Z(PeOzmm=igNi7tK`GNTIyCy=^3K`)%{N+EannLw9^@n9A zh^aV4l>dsge&4(hkSdfaXjnO#xJlJ7s-1M88(9A2XFns~KXAy~*dRblCjoH+GipRH z7~_DET%su_*-5=A*#Qv_G{v5*Kud38ce#^ZD7eZpE>$qE#?cHe0yxaMkJGguQk9=< z62^~DFd>BOQ z(u)r!^Y}<#{!|t_U+1cAyMbnZniIe%o^So>>xyI@@U)BBSr}FBmWHmbt*hS-va{0H zFVnuU*`h``>~}uoR2tQ(%HEA=m$1q%Px$BHv#gnKAgJg+n63t-aB>Z`$jo&QL5Kym zcTj6^Eq*R2^?-~1ncQ8X`{H~pHDs=u^`A$ezF>*Fd8CPXRyKm|&V{qEM`4Cxdo z7XrWQG49_-6eoh6coJm>rR-z&lDyqD1r`nk&3VIvw~z2o6b52sXjLu%zO$SIW)DVl z#L$huA00!laSR>OCUq!6!C_V>u`aXaI?|MX9o^<0{YEn869ryUjoj&zRl4hJ|Bpzl z&#YH=oWBnGc8AIw6h4CEGxVdwMABKjwN+j^!O7!9l2&(mejTfJ&g> zb=-`x;blZJaDEfLEQ^<;f!luH$2316S*~(OJjQB}th-9?jiX*H<*K_p?z+(A7JsNX z6vO<&Gk2zpQ7xGdhoa+myy4?ZA`$!pvTWjx%iQK&pds^cGB%;n@)jKQHisL-(XZIQ zbQg>uTCwPcW(8Y7KM(pkN~KN9F38XVsi?a8UmWeX+bR5#AMWsVNEzRcsEsiGd79c8 z;+*JR|FPILK2}31kb#FgO|qo0u6^tLl0;UWOp#df6+D=R zlxY3jG0X7@uw*Dw`FO{NRmJ&9VbJ=Y9q-LJY<3IVeqDK@C4CaCI1xLU6f|}UKilUe zN4<&;K}y#0^%Io-T%_d|5WpW~ApI|ht=0IVX634t{LR~`FWd)p&%{oQsRwDvRDaPq z)a`j^4?)&q4}u2rgfu_BpG^zNXvRYHGi>uRe1&Z7x1ZUR`~!gOXpxlTZ`BmTy1jao z1}}dnuR|7`-+aq5!_(QCy7Mf3&MBuq(3CpPP@LYXb+C;UJOM~(!b=JBP_OPdYiv6e z+V)4p)CAa~iRV+tE#v}l6=ZqW3FUrY>ynkfWsUt6pQ~U5F3iHmADA_I#!gf3|Hr$A zaeDcyp;k#s{cAR6okC?{fP1=5ME%)C>MUNQ@Z{3b+?Wx(%V;Ye6-G{5x@IsWMf}UQ zm^?Kl%kFw#L>@fc9n#Thmz`Bkm5V&7tXXOiFHYfbB%*R*p+ApYx}Xvef|V*wx$|fq z2`<=cbHq-?%PC5{UbST8&S4 zKJ;MwtBV*z^00W%@q9uEJDX{$A1ZM&rrv#mvPzG?ir4*R$zdJGfp}GT2N#zw z*)uP^{$I%$<_?^-;U1*SqhVkK)OHyDD6PD%jAf?wX$NV&*L!SW(Pb6~8*}7Q7YBbn zVVKm1SyE1cxmp@%#pD+@Ma{%_jf=6MFn8j<7xVEfq2A-tg1PW?-xs!wBefNf{E7AnuAV}J&A=xCumU{vu zM(hfgo|e#+hYjoZ4Uzirs#D@;I)smutUdSrWye<4LST9fN(Lc^FIzqPXF?1s`fuwR zv#?$)wrEW^!=f>VynkzCi?03KQ46+ zVrYUlaf-6v(sa9ow0ix^F4;$CLKr{CWVijxt(|hd+&JX2?Bx#s^f>A_Yv@S{<)@I6 z<8J|=oH7_Fg1|pjcKH8a*!bVR<4CuZag;$JjF(t2GpoNy;H1AcZz|45k0=$c%Alix z>1RZ)bdXnvkWVtY#ul3Q6zKFxSDJejsZc7=)fVg%_w!uMj3<4hzE!ivE4`FWkS40B zFH#nP1D^DWnIs@R$}N%rn$J;IK$|cR@*e`(G~Op!TS!_3wkLf@zESI}XZtdXU$cxE za$?va5R4EnFF&N1KRw`0!sKIm^>A7pCFXB z_-}J{mOdyxi>cv5LOJ^@F%71RLJ-NVEYuB0$2CB7yAl**Oshxd_E=1vWzIae-_Jv# zq8ln@pWvTt=@`JoC!9GE;^d392^_F}iQKwc;WISSZCS2wnyy#W#!c!Ajl~>dr`ZwH z#qU%_t_~eK5R7I$=SWpQ3UuFzEU*kQ>e=Kw%oDv6pU}U(fRZ`8Description:

This fix creates a coupled finite element (FE) and molecular dynamics -(MD) simulation and/or an on-the-fly estimation of continuum fields. -Interscale operators are defined that construct continuum fields from +(MD) simulation and/or an on-the-fly estimation of continuum fields, +where a FE mesh is specified and overlaps the particles, something +like this: +

+
+
+

Interscale operators are defined that construct continuum fields from atomic data. Coupled simulations use FE projection approximated on a discrete field. Currently, coupling is restricted to thermal physics. The Hardy module can use either FE projection or integration Kernels @@ -47,12 +52,14 @@ be made based on the FE field. For example, a Gaussian isokinetic thermostat can apply heat sources to the atoms that varies in space on the same scale as the FE element size. Meshes are not created automatically and must be specified on LAMMPS regions with prescribed -element sizes. Note that mesh computations and storage run in serial -(not parallelized) so performance will degrade when large element -counts are used. +element sizes.

-

Note that coupling and post-processing can be combined in the same -simulations using separate fix atc commands. +

Coupling and post-processing can be combined in the same simulations +using separate fix atc commands. +

+

Note that mesh computations and storage run in serial (not +parallelized) so performance will degrade when large element counts +are used.

For detailed exposition of the theory and algorithms implemented in this fix, please see the papers here and here. diff --git a/doc/fix_atc.txt b/doc/fix_atc.txt index cd0a9e616d..aa7a46c22b 100644 --- a/doc/fix_atc.txt +++ b/doc/fix_atc.txt @@ -28,7 +28,12 @@ fix AtC atc_atoms atc transfer hardy :pre [Description:] This fix creates a coupled finite element (FE) and molecular dynamics -(MD) simulation and/or an on-the-fly estimation of continuum fields. +(MD) simulation and/or an on-the-fly estimation of continuum fields, +where a FE mesh is specified and overlaps the particles, something +like this: + +:c,image(JPG/atc_nanotube.jpg) + Interscale operators are defined that construct continuum fields from atomic data. Coupled simulations use FE projection approximated on a discrete field. Currently, coupling is restricted to thermal physics. @@ -40,12 +45,14 @@ be made based on the FE field. For example, a Gaussian isokinetic thermostat can apply heat sources to the atoms that varies in space on the same scale as the FE element size. Meshes are not created automatically and must be specified on LAMMPS regions with prescribed -element sizes. Note that mesh computations and storage run in serial -(not parallelized) so performance will degrade when large element -counts are used. +element sizes. -Note that coupling and post-processing can be combined in the same -simulations using separate fix atc commands. +Coupling and post-processing can be combined in the same simulations +using separate fix atc commands. + +Note that mesh computations and storage run in serial (not +parallelized) so performance will degrade when large element counts +are used. For detailed exposition of the theory and algorithms implemented in this fix, please see the papers "here"_#Wagner and "here"_#Zimmerman.