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com.apple.print.ticket.itemArray com.apple.print.PrintSettings.PMLastPage 2147483647 com.apple.print.ticket.stateFlag 0 com.apple.print.PrintSettings.PMPageRange com.apple.print.ticket.creator com.apple.jobticket com.apple.print.ticket.itemArray com.apple.print.PrintSettings.PMPageRange 1 2147483647 com.apple.print.ticket.stateFlag 0 com.apple.print.ticket.APIVersion 00.20 com.apple.print.ticket.type com.apple.print.PrintSettingsTicket ^Graph*@@??WDashSettings#  !0#VUNormal@ Geneva<HHHH$$0#VUNormal@ Geneva<HHHH$$4444440 ;b4Normal@ Geneva<HHHH$$4 4 4 4 4 4 homeg9dLMyDrive:Users:jjw:Desktop:.MyDriveoH+IDesktopL jjwEI?MyDrive:Users:jjw:DesktopDesktopMyDriveUsers/jjw/Desktop/ ~RecentWindowsJBond PotentialHelp BrowserIgor Reference.ihfInputsPotential Functions 4Misc_EndLXOPState_StartLData Browserl FunctiGizmo nputsPotential PeakFunctions2 SOCKITDG`XMLutilsd %4XOPState_EndL\!( "RJpotentiale? OCKMCHFBEKD,CABP7BYAff&Ac@2Y@wBN?Gj<at}~]~%_ztmnVhEa[TlZNNH[B<72-M))$ s)Q]N/ #(8_kvRM0W뾪羏Jr.߾Q7۾Kc׾Ӿоר̾Pɾƾ[¾翾?T|Iͣteq35Օ5^Dގ9L `|p¶VXX}z:x4u`",Jclip_potentiale?x UPJLJ@H~\G!FEm"DJCBAA_@f?8WP2Ogi{9}w]o8g_/WDOHAo;x5/*%( g/E0d 8[ M<ħΩ!Glܾ.ؾԾxо̾j$ɾž4¾7꾾ϧ^"˲J? ꠾٥q$MX7/5#Iǐ]a x}Ozywt+ĶMáPޣJ1I_ݲLMT=pH>)5?^??t?M~??/|?zgv?Dn?%e?œ[? Q?f_H???16?>-?d%????} ?q?>>>(>/>>>/> >xN> >ݡ> > >>>>E{>8~~>kv>n>=`g>A\`>Y>>S>gM>(=G> A>8<> 7>2> S->(>Y$>' > >">]>>K; ># >W>t>k>,=eQ===m=hy==N==,==0===`"gJclip_forcee? d׭Rҟΰ;ʜ{Oɢe-k\Ԯc oh98.K ¿qq ?Y?tx?? |?Jr?f?Z?M?pA?I6?w+?ݟ!?7??U?%?>>=>> >>>>c>Y>3>>:>/>>~4|>Yr>1j>}a> Z>RR>K>dD>b>>1J8>|2>,>'>ٟ">'>2>>> >?>D>z[>R=F==K==l[====_==^=*=e=ز==P=?_=ʣ= S===P====`*d0TMW0RGIPotential_Functions0Potential_Functions0Potential Functions[h[-HH(Fg(HH(dh $Normal < BHHHH$$B Z pxHGeneral Version 1.0 Graphs I The graph shows a potential energy curve in blue using the left axis for  $   where Uo is the potential at equilibrium distance ro. The curve is generated from the analytical expressions given below. It also shows a curve in green for F/Fmax using the right axis. The curve is obtained by numerically differentiating the analytical curve for potential energy as a function of distance and then scaling the graph accordingly for Fmax, the maximum force. The force curve for the Hooke's Law potential energy is not scaled by Fmax (because Fmax is infinity in this case).  Panel Inputs Use the Input panel to change the potential according the list below. The input parameters can be changed to see the shape of the curves for dimensionless potential energy and force.  | The ClipIt button is activated when the checkbox next to it is checked. This button creates one quick "snapshot" or "clip" of the current curves. It shows them as dotted lines. Use this option as a way to freeze the view of curves for a certain potential function and compare them directly to other parameters or potential functions. 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Potential Functions Ionic $ $$ $ Born-Mayer      Mie    Morse  $   Buckingham     Lennard-Jones 6-12  $ $  Hooke's Law  $Z~ \d~    8@LT nv~    ( Header1 Header2 Normal+ Header1+ Header2+ Normal+  Normal+ Normal+ 6޺< HHgwԬ$L~̢vB^ h<!Ef%PDF-1.5 % 5 0 obj << /Length 29 /Filter /FlateDecode >> stream x+2T0B˥kJ, endstream endobj 2 0 obj << /Type /XObject /Subtype /Form /BBox [0 0 240 60] /FormType 1 /Matrix [1 0 0 1 0 0] /Resources 8 0 R /Length 38 /Filter /FlateDecode >> stream x+2T0BC]Cs 64RH5Tp l endstream endobj 1 0 obj << /Type /XObject /Subtype /Form /FormType 1 /PTEX.FileName (./tmp-pdfcrop-1407-img.pdf) /PTEX.PageNumber 1 /PTEX.InfoDict 9 0 R /BBox [0 0 852 1553] /Resources << /XObject << /Fm1 10 0 R >>/ProcSet [ /PDF ] >> /Length 56 /Filter /FlateDecode >> stream x3T0BCC=K eigUeg`ACz[K>W s endstream endobj 10 0 obj << /Type /XObject /Subtype /Form /BBox [ 0 0 101 26] /FormType 1 /Matrix [ 1 0 0 1 0 0] /Resources 11 0 R /Length 46 /Filter /FlateDecode >> stream x+2T0BC]#Sc=KKK]3# B!9K3P%+ c endstream endobj 12 0 obj << /Type /XObject /Subtype /Form /FormType 1 /PTEX.FileName (./latexit-1.pdf) /PTEX.PageNumber 1 /PTEX.InfoDict 13 0 R /BBox [ 0 0 612 792] /Resources << /Font << /F8 14 0 R /F14 15 0 R /F1 16 0 R /F11 17 0 R /F10 18 0 R >> /ProcSet [/PDF/Text] >> /Length 296 /Filter /FlateDecode >> stream xڭNA E Iǯy4H)]HE AK6!R4ؾp^/rUbM{+$e`3'Br]̷zbk[I,5LE lHȁkL>{QiงU^jF\a%yqִxDc w[](18JSg aQ;u:`s& (+R˴qR{e'R??ȿA?T>G^YKxUXcD4Qh_< endstream endobj 39 0 obj << /Length1 1420 /Length2 6335 /Length3 0 /Length 7299 /Filter /FlateDecode >> stream xڍtT6t^*5&Лt!A (J HURHJs=yff?S6/ F!" 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DefaultFont "Geneva" MoveWindow/P 98,59,564,543 BondPotential() Inputs() MoveWindow/C 35,519,597,598 OpenNotebook/N=Potential_Functions0/K=1/W=(603,199,1152,616)/J=47296 "Potential_Functions0" as "Potential Functions" Window Inputs() : Panel PauseUpdate; Silent 1 // building window... NewPanel /W=(601,55,723,174) as "Inputs" ModifyPanel fixedSize=1, noEdit=1 PopupMenu setfunction,pos={8,13},size={57,20},proc=PopMenuProc,fSize=12 PopupMenu setfunction,mode=1,popvalue="Ionic",value= #"\"Ionic;Born-Mayer;Mie;Morse;Buckingham;LJ 6-12;Hooke's Law\"" SetVariable setn,pos={21,42},size={80,19},proc=SetVarProc,title="n = ",fSize=12 SetVariable setn,format="%2.0f",limits={1,12,1},value= _NUM:6 SetVariable setsT,pos={12,42},size={90,19},disable=1,proc=SetVarProc,title="S12 = " SetVariable setsT,fSize=12,format="%2.0f",limits={1,20,1},value= _NUM:9 SetVariable setsS,pos={20,63},size={80,19},disable=1,proc=SetVarProc,title="S6 = " SetVariable setsS,fSize=12,format="%2.0f",limits={1,20,1},value= _NUM:16 SetVariable setbro,pos={20,42},size={90,21},disable=1,proc=SetVarProc,title="br\\Bo\\M = " SetVariable setbro,fSize=12,format="%2.0f",limits={1,12,1},value= _NUM:6 SetVariable setm,pos={21,63},size={80,19},disable=1,proc=SetVarProc,title="m = " SetVariable setm,fSize=12,format="%2.0f",limits={1,12,1},value= _NUM:1 CheckBox clip,pos={24,91},size={16,14},proc=CheckProc,title="",fSize=12,value= 0 Button doclip,pos={46,88},size={50,20},proc=ButtonProc,title="Clip It",fSize=12 SetVariable setkro,pos={15,37},size={90,26},disable=1,proc=SetVarProc,title="kr\\Bo\\M\\S2\\M = " SetVariable setkro,fSize=12,format="%2.0f",limits={1,12,1},value= _NUM:5 EndMacro Window BondPotential() : Graph PauseUpdate; Silent 1 // building window... Display /W=(32,51,599,494) potential,clip_potential,force,clip_force as "Bond Potential" ModifyGraph margin(right)=79 ModifyGraph lSize=2 ModifyGraph lStyle(clip_potential)=2,lStyle(clip_force)=2 ModifyGraph rgb(potential)=(1,3,39321),rgb(clip_potential)=(1,3,39321),rgb(force)=(1,26214,0) ModifyGraph rgb(clip_force)=(1,26214,0) ModifyGraph hideTrace(clip_potential)=1,hideTrace(clip_force)=1 ModifyGraph zero(left)=3 ModifyGraph mirror(left)=3,mirror(bottom)=2 ModifyGraph fSize=14 ModifyGraph axOffset(left)=-2.55556,axOffset(bottom)=-0.294118 Label left "\\Z16U/U\\Bo" Label bottom "\\Z16r/r\\Bo" SetAxis left -1,1 TextBox/C/N=text0/O=-90/F=0/A=RC/X=-16.18/Y=-0.54 "\\Z16F/F\\Bmax" EndMacro i#pragma rtGlobals=1 // Use modern global access method. Function UpdateFunction(fnum) variable fnum switch(fnum) case 1: DoIonic() break case 2: DoBM() break case 3: DoMie() break case 4: DoMorse() break case 5: DoBH() break case 6: DoLJ() break case 7: DoHL() break endswitch DoDerivative(fnum) return 0 end Function DoDerivative(fnum) variable fnum wave potential wave force Differentiate potential /D=force variable wmax = wavemax(force,1,5) if (fnum!=7) force /= wmax endif return 0 end Function DoIonic() wave potential variable n ControlInfo/W=Inputs setn n = V_value potential = Uionic(n,x) return 0 end Function Uionic(n,x) variable n, x variable U = -((1/x) - (1/n)*(1/x)^n) variable Uo = (n-1)/n Uo = n == 1 ? 1 : Uo return (U/Uo) end Function DoBM() wave potential variable b ControlInfo/W=Inputs setbro b = V_value potential = UBM(b,x) return 0 end Function UBM(b,x) variable b, x variable ext = exp(b*(1-x)) variable U = -((1/x) - (ext/b)) variable Uo = 1 - (1/b) Uo = b == 1 ? 1 : Uo return (U/Uo) end Function DoMie() wave potential variable n, m ControlInfo/W=Inputs setn n = V_value ControlInfo/W=Inputs setm m = V_value potential = UMie(n,m,x) return 0 end Function UMie(n,m,x) variable n,m, x variable U = -((n*(1/x)^m - m*(1/x)^n)) variable Uo = (n - m) Uo = n == m ? 1 : Uo return (U/Uo) end Function DoBH() wave potential variable n, m ControlInfo/W=Inputs setn n = V_value ControlInfo/W=Inputs setm m = V_value potential = UBH(n,m,x) return 0 end Function UBH(n,m,x) variable n,m, x variable Uo = (m - n)/(m*n) variable ext = exp(n*(1-x)) variable U = ((1/m)*(1/x)^m - (ext/n)) Uo = m == n ? 1 : Uo return (U/Uo) end Function DoMorse() wave potential variable m ControlInfo/W=Inputs setm m = V_value potential = UMorse(m,x) return 0 end Function UMorse(m,x) variable m, x variable xv = x - 1 variable U = -2*exp(-m*xv) + exp(-2*m*xv) return (U) end Function DoLJ() wave potential potential = ((1/x)^12 - 2*(1/x)^6) return 0 end Function DoHL() wave potential variable kro ControlInfo/W=Inputs setkro kro = V_value potential = UHL(kro,x) return 0 end Function UHL(kro,x) variable kro, x variable xv = x - 1 variable U = (kro*xv^2/2) -1 return (U) end Function DoClip(OnOff) variable OnOff wave clip_potential wave potential wave force wave clip_force clip_potential = potential clip_force = force ModifyGraph/W=BondPotential hideTrace(clip_potential)=!OnOff, hideTrace(clip_force)=!OnOff return 0 end Function ButtonProc(ba) : ButtonControl STRUCT WMButtonAction &ba switch( ba.eventCode ) case 2: // mouse up // click code here ControlInfo/W=Inputs clip DoClip(V_Value) break case -1: // control being killed break endswitch return 0 End Function CheckProc(cba) : CheckBoxControl STRUCT WMCheckboxAction &cba switch( cba.eventCode ) case 2: // mouse up Variable checked = cba.checked DoClip(cba.checked) break case -1: // control being killed break endswitch return 0 End Function SetVarProc(sva) : SetVariableControl STRUCT WMSetVariableAction &sva switch( sva.eventCode ) case 1: // mouse up case 2: // Enter key case 3: // Live update ControlInfo/W=Inputs setfunction UpdateFunction(V_Value) break case -1: // control being killed break endswitch return 0 End Function PopMenuProc(pa) : PopupMenuControl STRUCT WMPopupAction &pa switch( pa.eventCode ) case 2: // mouse up switch(pa.popNum) case 1: // ionic SetVariable setn, disable = 0 SetVariable setm, disable = 1 SetVariable setbro, disable = 1 SetVariable setkro, disable = 1 break case 2: // BM SetVariable setn, disable = 1 SetVariable setm, disable = 1 SetVariable setbro, disable = 0 SetVariable setkro, disable = 1 break case 3: // Mie SetVariable setn, disable = 0 SetVariable setm, disable = 0 SetVariable setbro, disable = 1 SetVariable setkro, disable = 1 break case 4: // Morse SetVariable setn, disable = 1 SetVariable setm, disable = 0 SetVariable setbro, disable = 1 SetVariable setkro, disable = 1 break case 5: // Buckingham SetVariable setn, disable = 0 SetVariable setm, disable = 0 SetVariable setbro, disable = 1 SetVariable setkro, disable = 1 break case 6: // LJ SetVariable setn, disable = 1 SetVariable setm, disable = 1 SetVariable setbro, disable = 1 SetVariable setkro, disable = 1 break case 7: // HL SetVariable setn, disable = 1 SetVariable setm, disable = 1 SetVariable setbro, disable = 1 SetVariable setkro, disable = 0 break endswitch UpdateFunction(pa.popNum) break case -1: // control being killed break endswitch return 0 End Window Inputs() : Panel PauseUpdate; Silent 1 // building window... NewPanel /W=(603,53,725,172) as "Inputs" ModifyPanel fixedSize=1, noEdit=1 PopupMenu setfunction,pos={8,13},size={57,20},proc=PopMenuProc,fSize=12 PopupMenu setfunction,mode=1,popvalue="Ionic",value= #"\"Ionic;Born-Mayer;Mie;Morse;Buckingham;LJ 6-12;Hooke's Law\"" SetVariable setn,pos={21,42},size={80,19},proc=SetVarProc,title="n = ",fSize=12 SetVariable setn,format="%2.0f",limits={1,12,1},value= _NUM:6 SetVariable setsT,pos={12,42},size={90,19},disable=1,proc=SetVarProc,title="S12 = " SetVariable setsT,fSize=12,format="%2.0f",limits={1,20,1},value= _NUM:9 SetVariable setsS,pos={20,63},size={80,19},disable=1,proc=SetVarProc,title="S6 = " SetVariable setsS,fSize=12,format="%2.0f",limits={1,20,1},value= _NUM:16 SetVariable setbro,pos={20,42},size={90,21},disable=1,proc=SetVarProc,title="br\\Bo\\M = " SetVariable setbro,fSize=12,format="%2.0f",limits={1,12,1},value= _NUM:6 SetVariable setm,pos={21,63},size={80,19},disable=1,proc=SetVarProc,title="m = " SetVariable setm,fSize=12,format="%2.0f",limits={1,12,1},value= _NUM:1 CheckBox clip,pos={24,91},size={16,14},proc=CheckProc,title="",fSize=12,value= 0 Button doclip,pos={46,88},size={50,20},proc=ButtonProc,title="Clip It",fSize=12 SetVariable setkro,pos={15,37},size={90,26},disable=1,proc=SetVarProc,title="kr\\Bo\\M\\S2\\M = " SetVariable setkro,fSize=12,format="%2.0f",limits={1,12,1},value= _NUM:6 EndMacro Window BondPotential() : Graph PauseUpdate; Silent 1 // building window... Display /W=(32,51,599,494) potential,clip_potential,force,clip_force as "Bond Potential" ModifyGraph margin(right)=79 ModifyGraph lSize=2 ModifyGraph lStyle(clip_potential)=2,lStyle(clip_force)=2 ModifyGraph rgb(potential)=(1,3,39321),rgb(clip_potential)=(1,3,39321),rgb(force)=(1,26214,0) ModifyGraph rgb(clip_force)=(1,26214,0) ModifyGraph hideTrace(clip_potential)=1,hideTrace(clip_force)=1 ModifyGraph zero(left)=3 ModifyGraph mirror(left)=3,mirror(bottom)=2 ModifyGraph fSize=14 ModifyGraph axOffset(left)=-2.55556,axOffset(bottom)=-0.294118 Label left "\\Z16U/U\\Bo" Label bottom "\\Z16r/r\\Bo" SetAxis left -1,1 TextBox/C/N=text0/O=-90/F=0/A=RC/X=-16.18/Y=-0.54 "\\Z16F/F\\Bmax" EndMacro