250.0falsewidthheight250535535.0100filenamesurface0.mmldate1268670432000urlhttp://mw2.concord.org/public/part2/diffat/surface0.mmlsize46952codebase/public/part2/diffatdefine %rows 10;
define %podWidth 4.5;
define %podHeight %height/%rows;
define %surfVal 0;
define %inside 0;
define %outside 0;
define %currentNum 0;
define %startTemp 500;
define %surface0 <t>surface0</t>;
define %surface1 <t>surface1</t>;
define %surface2 <t>surface2</t>;
define %surface3 <t>surface3</t>;
define %surface4 <t>surface4</t>;
define %surface5 <t>surface5</t>;
set %row 10;
set %outside 0;
set %dir 0;
while (%row > 0);
if (mod(%row,2) == 0);
set %dir -1;
else;
set %dir 1;
endif;
set %lobeX (%width/2)+(%dir*%podWidth*%surfVal);
set %lobeY (%podHeight)*(%row-1);
set %currentCount count(0,%lobeX,%lobeY,%width-%lobeX,%podHeight);
set %outside %outside+%currentCount;
set %row %row-1;
endwhile;
set %inside %number_of_atoms - %outside;
store 1 %inside;
store 0 %outside;
beginexternal;
@textbox:3:enablecomponent 7 false;
endexternal;send data to graphs50update_graphsset %row 10;
set %outside 0;
set %dir 0;
while (%row > 0);
if (mod(%row,2) == 0);
set %dir -1;
else;
set %dir 1;
endif;
set %lobeX (%width/2)+(%dir*%podWidth*%surfVal);
set %lobeY (%podHeight)*(%row-1);
set %currentCount count(0,%lobeX,%lobeY,%width-%lobeX,%podHeight);
set %outside %outside+%currentCount;
set %row %row-1;
endwhile;
set %inside %number_of_atoms - %outside;
store 1 %inside;
store 0 %outside;1.0226245255255None-256-60664572550255255surface0.pngfalse21.0-2.0-6548500255255falsefalse28.032.0-0.040541137180862310.00299598818720437562.028.0-0.0045033026063552920.02103714923695767755.065.0-0.032159615321776414-0.0080947871501814731.074.00.0485529778606764860.0312919353971959441.0116.00.00449864064001463150.05407895395283219473.087.00.06747193081718843-0.0469519858801020691.035.00.027105146912618807-0.005474852992492795131.078.00.0251282295249438820.02926634642908691105.0138.0-0.0174042768411267370.0317003328403574490.076.00.014878192424224147-8.080136537627986E-4151.040.0-0.01077836980687465-0.007124063614514434150.0127.00.07587304508016679-0.010792464900600934121.095.0-0.037649453693679225-0.05826759390044941113.059.0-0.021342178674855740.008756921541660204129.025.00.044371794494159750.015546442807338521184.026.0-0.012278214408668414-0.020718738584894716237.019.00.005371335230403196-0.03874749259681707202.013.00.07472904854848515-0.0151839605977535369.017.0-0.026568992630747520.0333105418014649433.012.00.0091418352001057970.0250896836228712617.061.0-0.066128674628503440.0260462790260117941.050.0-0.0014033968338171788-0.00648492788208237168.0119.00.020002252481725234-0.05662906502560880626.098.00.016392826353000750.01195043813914909612.0146.00.022671229291207690.02777558071998569425.0200.00.004707649189997962-0.01288964291131062642.0152.00.038002378245598580.0957083211372505723.0176.00.018840338581895440.0167066310449103561.0210.0-0.0133202882477307210.0246496483943389368.0172.0-0.03323021815537322-0.0175093643830634477.0152.0-0.0144364818698121090.0152440880580270897.0204.0-0.0186004394847836960.0167682750637934166.0224.0-0.0123626122527076470.00123907892905585427.0229.00.0360678697393366-0.0197227297682972544.0194.0-0.034046482006433560.007279536676489355571.0194.0-0.022949183431515950.053954024110414125103.0243.00.06618109996069153-0.01969013231201162114.0188.05.816287044364807E-40.01971362720996382592.0156.0-0.0268265059443218-0.04542745404812024131.0158.0-0.051608731480509630.02300208952206121134.0213.00.037666088898095420.04518424693571688150.0235.00.0017157527005719550.04138881011520136166.0176.0-0.016603973122955668-0.003307513719156469135.0171.0-0.029798376688797173-0.04012747973488278161.0207.00.05533500462558602-0.04660118681927348184.0238.0-0.03040129070923007-0.01806317140957816217.0228.00.0105332437072703910.010507013233161468194.0191.0-0.0183716613634068440.0015399395521905098176.0125.0-0.04497908901807962-0.0814645591096872590.0116.0-0.0313028017988712660.008178728395381519185.096.00.067111556379869320.02852723445195031155.0101.0-0.0091257366132090120.03216175265211307133.0115.0-0.022177970387414127-0.01877639094363112161.0154.0-0.11134821907225101-0.018432708409657373198.0166.0-0.0153170942611021970.0026114354735350415221.0201.0-0.0095255307660706520.004148645467929668237.0224.00.02092354950647537-0.024880227708932817245.0175.0-0.0017787289690753588-0.060301696808518844224.0130.00.0177922405379621930.00735607478195663207.085.00.0039566907989836480.019994907940922752178.075.0-0.020119085544970577-0.0471954787305418200.061.0-0.0238246094229381530.046142495637400555225.082.0-0.004358506948898284-0.04324322375272092235.0122.00.014778333296241921-0.027110266969051472245.061.0-0.00371660800288637920.05016240310676637225.048.0-0.0388421649263508760.0358323935531812161.061.00.02383702731412786-0.08263382562084455158.030.00.0120946615022802380.03930781466431814105.017.00.028467692674166458-0.09947333543116858128.042.0-0.0429731187617836060.004689150329090523224.0171.00.016969837736382262-0.018851238687442828186.0133.00.0298372615947262480.019644546346155742236.0104.00.003908833737833683-0.05249856318992221246.0138.00.013786025303850832-0.03316478737396365251.0214.00.0302424632997942070.034404065613088584253.0238.0-0.027451374112605294-0.011877303071664973194.0217.00.0440047530389122350.012491266812703399136.0234.00.039671857219828870.05668915126117769118.0224.0-0.023996001590063590.0232236411400846686.0238.0-0.012115723881979505-0.00581089102220025157.0152.0-0.026182568961442370.0422677276012390925.0130.00.064906317270621460.03081109716135161547.098.0-0.048050539126910506-0.001149273779632242474.056.00.0141247369113609470.022447277917507526113.0103.00.0131339595271225-0.04888301295424698126.0134.00.01598099845396926-0.020098230805081704220.0156.0-0.030815507802982856-0.11634054605058357206.0115.0-0.010620399549139369-0.03838639816779371186.051.0-0.076904950699220720.03956630411069112213.041.0-9.092156437721593E-4-0.00890883173825204155.014.00.0476739572726495660.0331061426916771257.017.00.0217671091381333930.06233912767412246261.079.0-0.07405773887057783-0.022192868993160288256.0141.0-0.019159323333620373-8.483436426881461E-4180.0209.00.019240157728467964-0.029103052011538375167.0229.00.0299072590025698980.03949252140530852152.0194.00.044252379681945550.02522006100840048786.0179.0-0.02232798001596217-6.423847655976631E-452.0236.07.047903031917228E-48.804399841667981E-48.0213.0-0.0195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