the s orbital is x y z the p orbital is xxxx yyyy zzzz the d orbitals are xxx yyy zzz is that right and can they be used to describe all atoms ???
-Mark Baker On Sun, Oct 15, 2023 at 5:26 PM Mark NanoNebulas <nanonebu...@gmail.com> wrote: > have you used the range function ??? here i have all orbitals that can be > without using hold3d(); > > could you put the Rotxz into 4178 dimensions I dont understand how your > doing it in 3 > here are all the orbitals i got 14 of them total in your opinion can i use > these to describe all the atoms > > check out the range function it lets you use a lot of piddles in one > matrix... > > Best, > -Mark > ##################### > > use PDL; > use PDL::Complex; > use PDL::Graphics::TriD; > use PDL::NiceSlice; > use PDL::Math; keeptwiddling3d; > $PDL::BIGPDL=1; > ## remember this can crash the computer if you dont have enough RAM and > swap in linux or pagefile in windows > > > > for (;;){ > $c = (4000) ; ## speed > for $phase(-360..360) { ## 360 > $phases = $phase*0.0000001; > $frequency = ($c**-1); > $n= (6.28*$c*$frequency+($phases)); > > $photons = 4178; ### [Density] 2444 4178 > > > $t=rvals(exp(zeros($photons))); > $cz=-1**$t*$c; # -1**$t*$c > $cy=-1**sin($t*$c); #-1**$c*sin($t*$c) > $cx=-1**$c*sin(rvals($t))*$c; #-1**$c*bessj0(rvals($t,{Centre=>[0]}))*$c; > > > $w=$cz-$cy-$cx; > $g=sin($w); #sin > $r=cos($cy+$c+$cz); #cos > $b=cos($w); #cos > $i=($cz-$cx-$cy); > $q=$c*($i*$n); > > ### altitude longitude latitude > $x = $b*sin($q); ### cos change the spin of the electron here > $y = $r*cos($q); ### sin > $z = $g*sin($q); ### cos > > > $xx = $b*sin($b); ### cos change the spin of the electron here > $yy = $r*($q); ### sin > $zz = $g*cos($g); ### cos > $dd++; > $xxx = $xx*cos($yy)*sin($zz)+sin($xx*(1/sqrt 2)); ### cos change the > spin of the electron here > $yyy = $xx*sin($yy)*sin($zz)+sin($xx*(1/sqrt 2)); ### sin > $zzz = $xx*cos($zz); ### cos > # Draw a line > > $xxxx = $xx*cos($yy)*sin($zz); ### cos change the spin of the electron > here > $yyyy = $xx*sin($yy)*sin($zz); ### sin > $zzzz = $xx*cos($zz); > > > > $vv=sequence(4178); > ### wavefunction #exp(-sqrt(($x**2)+($y**2)+($z**2))) > > #$xxx=rotate($xxx,$phase); > #$yyy=rotate($yyy,$phase); > #$zzz=rotate($zzz,$phase); > > #$xxx=$xxx*$vv; > #$yyy=$yyy*$vv; > #$zzz=$zzz*$vv; > > #$xxxx=$xxxx*$vv; > #$yyyy=$yyyy*$vv; > #$zzzz=$zzzz*$vv; > > > > > $matrixa = ones(1000000); > $matrixb = ones(1000000); > $matrixc = ones(1000000); > $colora = ones(1000000); > $colorb = ones(1000000); > $colorc = ones(1000000); > > $matrixa->range(5000,[4178]) .=0.8*(($xxx))-.2 ; > $matrixb->range(5000,[4178]) .=0.8*(($yyy))-.2 ; > $matrixc->range(5000,[4178]) .=0.8*(($zzz))-.2 ; > $colora->range(5000,[4178]) .= $r ; > $colorb->range(5000,[4178]) .= $g ; > $colorc->range(5000,[4178]) .= $b ; > > $matrixa->range(10000,[4178]) .=0.8*((-$xxx))-.2 ; > $matrixb->range(10000,[4178]) .=0.8*((-$yyy))-.2 ; > $matrixc->range(10000,[4178]) .=0.8*((-$zzz))-.2 ; > $colora->range(10000,[4178]) .= $r ; > $colorb->range(10000,[4178]) .= $g ; > $colorc->range(10000,[4178]) .= $b ; > > $matrixa->range(15000,[4178]) .=0.8*((-$xxx))-.2 ; > $matrixb->range(15000,[4178]) .=0.8*((-$yyy))-.2 ; > $matrixc->range(15000,[4178]) .=0.8*(($zzz))-.2 ; > $colora->range(15000,[4178]) .= $r ; > $colorb->range(15000,[4178]) .= $g ; > $colorc->range(15000,[4178]) .= $b ; > > $matrixa->range(20000,[4178]) .=0.8*(($xxx))-.2 ; > $matrixb->range(20000,[4178]) .=0.8*((-$yyy))-.2 ; > $matrixc->range(20000,[4178]) .=0.8*(($zzz))-.2 ; > $colora->range(20000,[4178]) .= $r ; > $colorb->range(20000,[4178]) .= $g ; > $colorc->range(20000,[4178]) .= $b ; > > $matrixa->range(25000,[4178]) .=0.8*((-$xxx))-.2 ; > $matrixb->range(25000,[4178]) .=0.8*(($yyy))-.2 ; > $matrixc->range(25000,[4178]) .=0.8*((-$zzz))-.2 ; > $colora->range(25000,[4178]) .= $r ; > $colorb->range(25000,[4178]) .= $g ; > $colorc->range(25000,[4178]) .= $b ; > > $matrixa->range(30000,[4178]) .=0.8*(($xxx))-.2 ; > $matrixb->range(30000,[4178]) .=0.8*((-$yyy))-.2 ; > $matrixc->range(30000,[4178]) .=0.8*((-$zzz))-.2 ; > $colora->range(30000,[4178]) .= $r ; > $colorb->range(30000,[4178]) .= $g ; > $colorc->range(30000,[4178]) .= $b ; > > $matrixa->range(35000,[4178]) .=0.8*(($xxx))-.2 ; > $matrixb->range(35000,[4178]) .=0.8*(($yyy))-.2 ; > $matrixc->range(35000,[4178]) .=0.8*((-$zzz))-.2 ; > $colora->range(35000,[4178]) .= $r ; > $colorb->range(35000,[4178]) .= $g ; > $colorc->range(35000,[4178]) .= $b ; > > $matrixa->range(40000,[4178]) .=0.8*((-$xxx))-.2 ; > $matrixb->range(40000,[4178]) .=0.8*(($yyy))-.2 ; > $matrixc->range(40000,[4178]) .=0.8*(($zzz))-.2 ; > $colora->range(40000,[4178]) .= $r ; > $colorb->range(40000,[4178]) .= $g ; > $colorc->range(40000,[4178]) .= $b ; > > $matrixa->range(45000,[4178]) .=(($xxxx))-.2 ; > $matrixb->range(45000,[4178]) .=(($yyyy))-.2 ; > $matrixc->range(45000,[4178]) .=(($zzzz))-.2 ; > $colora->range(45000,[4178]) .= $r ; > $colorb->range(45000,[4178]) .= $g ; > $colorc->range(45000,[4178]) .= $b ; > > $matrixa->range(50000,[4178]) .=((-$xxxx))-.2 ; > $matrixb->range(50000,[4178]) .=((-$yyyy))-.2 ; > $matrixc->range(50000,[4178]) .=((-$zzzz))-.2 ; > $colora->range(50000,[4178]) .= $r ; > $colorb->range(50000,[4178]) .= $g ; > $colorc->range(50000,[4178]) .= $b ; > > $matrixa->range(55000,[4178]) .=(($zzzz))-.2 ; > $matrixb->range(55000,[4178]) .=(($xxxx))-.2 ; > $matrixc->range(55000,[4178]) .=(($yyyy))-.2 ; > $colora->range(55000,[4178]) .= $r ; > $colorb->range(55000,[4178]) .= $g ; > $colorc->range(55000,[4178]) .= $b ; > > $matrixa->range(60000,[4178]) .=((-$zzzz))-.2 ; > $matrixb->range(60000,[4178]) .=((-$xxxx))-.2 ; > $matrixc->range(60000,[4178]) .=((-$yyyy))-.2 ; > $colora->range(60000,[4178]) .= $r ; > $colorb->range(60000,[4178]) .= $g ; > $colorc->range(60000,[4178]) .= $b ; > # > $matrixa->range(65000,[4178]) .=(($yyyy))-.2 ; > $matrixb->range(65000,[4178]) .=(($zzzz))-.2 ; > $matrixc->range(65000,[4178]) .=(($xxxx))-.2 ; > $colora->range(65000,[4178]) .= $r ; > $colorb->range(65000,[4178]) .= $g ; > $colorc->range(65000,[4178]) .= $b ; > > $matrixa->range(70000,[4178]) .=((-$yyyy))-.2 ; > $matrixb->range(70000,[4178]) .=((-$zzzz))-.2 ; > $matrixc->range(70000,[4178]) .=((-$xxxx))-.2 ; > $colora->range(70000,[4178]) .= $r ; > $colorb->range(70000,[4178]) .= $g ; > $colorc->range(70000,[4178]) .= $b ; > > # $matrixa=rotate($matrixa,$dd); > #$matrixb=rotate($matrixb,$dd); > #$matrixc=rotate($matrixc,$dd); > > > > +points3d[$matrixa,$matrixb,$matrixc], > [$colora,$colorb,$colorc];#{PointSize=>1}; > > > }} #} > > > > On Sat, Oct 14, 2023 at 10:05 PM Luis Mochan <moc...@icf.unam.mx> wrote: > >> This worked for me to generate x-z d orbitals. The other planes are >> similar. >> I simply applied 4 different 45 degree rotations to your points and >> plotted them all together. I added two additional points to fix the scale. >> >> ################################################## >> use PDL; >> use PDL::Complex; >> use PDL::Graphics::TriD; >> use PDL::Math; >> my $c = 10; ## speed >> my $Rotxz=pdl([[1/sqrt 2, 0, -1/sqrt 2],[0,1,0], [1/sqrt 2, 0, 1/sqrt >> 2]]); >> nokeeptwiddling3d; >> while(1){ >> for my $phase(-360..360) { ## 360 >> my $photons = 4178; ### [Density] 2444 4178 >> my $t=rvals(zeros($photons)); >> my $cz=$c; # -1**$t*$c >> my $cy=sin($t*$c); >> my $cx=sin($t)*$c; >> my $w=$cz-$cy-$cx; >> my $color=(pdl[my $r=cos($cy+$c+$cz), my $g=sin($w), my >> $b=cos($w)])->mv(-1,0); >> my $i=($cz-$cx-$cy); >> my $q=$c*($i*$phase); >> my $R = $b*sin($b); >> my $phi = $r*$q; >> my $theta = $g*cos($g); >> my $points=($R*pdl[sin($theta)*cos($phi), >> sin($phi)*sin($theta),cos($theta)]); >> my $allpoints=pdl( >> $Rotxz x $points, $Rotxz->transpose x $points, -$Rotxz x >> $points, -$Rotxz->transpose x $points >> )->mv(1,0); >> points3d(pdl[[1,1,1],[-1,-1,-1]]); >> hold3d(); >> points3d($allpoints, $color->dummy(2)); >> release3d(); >> } >> } >> >> >> On Sat, Oct 14, 2023 at 06:01:34PM -0700, Mark NanoNebulas wrote: >> > i found out how to move the point in the y axis here >> > $dd++; >> > $xxx = $xx*cos($yy)*sin($zz)+sin($xx); ### cos change the spin of the >> > electron here >> > $yyy = $xx*sin($yy)*sin($zz)+sin($xx+$dd); ### sin >> > $zzz = $xx*cos($zz); ### cos >> > >> > this seems to work but can it make all the d orbitals i need ??? >> > >> > -Mark Baker >> > >> > >> > On Sat, Oct 14, 2023 at 7:18 AM Luis Mochan <moc...@icf.unam.mx> wrote: >> > >> > > Hi, >> > > I didn't quite understand the code. I simplified it a bit, removed >> > > many noop instructions, changed the speed, negated the twiddling and >> > > the result looks like a nice lobe of a p orbital, made up of points >> > > along some spiral, rotating about its axis. Is this the rotation you >> > > want or do you want to rotate the symmetry axis from the z direction >> to an >> > > arbitrary direction? You could apply a 3x3 rotation matrix to the >> > > $points array in the code below. If you want a point to remain fixed, >> > > first translate it to the origin, the rotate, and then rotate back. >> > > Regards, >> > > Luis >> > > ---------------- >> > > ################################################## >> > > use PDL; >> > > use PDL::Complex; >> > > use PDL::Graphics::TriD; >> > > use PDL::Math; >> > > nokeeptwiddling3d; >> > > my $c = 10; ## speed >> > > while(1){ >> > > for my $phase(-360..360) { ## 360 >> > > my $photons = 4178; ### [Density] 2444 4178 >> > > my $t=rvals(zeros($photons)); >> > > my $cz=$c; # -1**$t*$c >> > > my $cy=sin($t*$c); >> > > my $cx=sin($t)*$c; >> > > my $w=$cz-$cy-$cx; >> > > my $color=(pdl[my $r=cos($cy+$c+$cz), my $g=sin($w), my >> > > $b=cos($w)])->mv(-1,0); >> > > my $i=($cz-$cx-$cy); >> > > my $q=$c*($i*$phase); >> > > my $R = $b*sin($b); >> > > my $phi = $r*$q; >> > > my $theta = $g*cos($g); >> > > my $points=($R*pdl[sin($theta)*cos($phi), >> > > sin($phi)*sin($theta),cos($theta)])->mv(-1,0); >> > > points3d $points,$color; >> > > } >> > > } >> > > >> > > >> > > >> > > On Fri, Oct 13, 2023 at 10:36:17AM -0700, Mark NanoNebulas wrote: >> > > > Hi im trying to rotate this obital so that i can place them all >> over in >> > > > balanced arrangements of orbs like the chemistry book says but i >> dont >> > > know >> > > > how to rotate a matrix in all directions, can anybody help >> > > > heres the code >> > > > >> > > > ################################################## >> > > > use PDL; >> > > > use PDL::Complex; >> > > > use PDL::Graphics::TriD; >> > > > use PDL::Math; keeptwiddling3d; >> > > > $PDL::BIGPDL=1; >> > > > ## remember this can crash the computer if you dont have enough >> RAM and >> > > > swap in linux or pagefile in windows >> > > > >> > > > >> > > > >> > > > for (;;){ >> > > > $c = (400) ; ## speed >> > > > for $phase(-360..360) { ## 360 >> > > > $phases = $phase*0.0000001; >> > > > $frequency = ($c**-1); >> > > > $n= (6.28*$c*$frequency+($phases)); >> > > > >> > > > $photons = 4178; ### [Density] 2444 4178 >> > > > >> > > > >> > > > $t=rvals(exp(zeros($photons))); >> > > > $cz=-1**$t*$c; # -1**$t*$c >> > > > $cy=-1**sin($t*$c); #-1**$c*sin($t*$c) >> > > > $cx=-1**$c*sin(rvals($t))*$c; >> > > #-1**$c*bessj0(rvals($t,{Centre=>[0]}))*$c; >> > > > >> > > > >> > > > $w=$cz-$cy-$cx; >> > > > $g=sin($w); #sin >> > > > $r=cos($cy+$c+$cz); #cos >> > > > $b=cos($w); #cos >> > > > $i=($cz-$cx-$cy); >> > > > $q=$c*($i*$n); >> > > > $xx = $b*sin($b); ### >> > > > $yy = $r*($q); ### >> > > > $zz = $g*cos($g); ### >> > > > >> > > > $xxx = $xx*cos($yy)*sin($zz); ### >> > > > $yyy = $xx*sin($yy)*sin($zz); ### >> > > > $zzz = $xx*cos($zz); >> > > > >> > > > points3d[$xxx,$yyy,$zzz],[$r,$g,$b]; >> > > > >> > > > ########################################################## >> > > > >> > > > if i can get this orbital to rotate in all directions, then i can >> > > represent >> > > > atoms >> > > > better cause they are balanced by the number of electrons so the >> orbs >> > > > repeal each other, please any help would be appreciated !!! >> > > > >> > > > Best, >> > > > -Mark Baker >> > > >> > > >> > > > _______________________________________________ >> > > > pdl-general mailing list >> > > > pdl-general@lists.sourceforge.net >> > > > https://lists.sourceforge.net/lists/listinfo/pdl-general >> > > >> > > >> > > -- >> > > >> > > o >> > > W. Luis Mochán, | tel:(52)(777)329-1734 /<(*) >> > > Instituto de Ciencias Físicas, UNAM | fax:(52)(777)317-5388 `>/ >> /\ >> > > Av. Universidad s/n CP 62210 | >> (*)/\/ \ >> > > Cuernavaca, Morelos, México | moc...@fis.unam.mx /\_/\__/ >> > > GPG: 791EB9EB, C949 3F81 6D9B 1191 9A16 C2DF 5F0A C52B 791E B9EB >> > > >> > > >> > > _______________________________________________ >> > > pdl-general mailing list >> > > pdl-general@lists.sourceforge.net >> > > https://lists.sourceforge.net/lists/listinfo/pdl-general >> > > >> >> >> > _______________________________________________ >> > pdl-general mailing list >> > pdl-general@lists.sourceforge.net >> > https://lists.sourceforge.net/lists/listinfo/pdl-general >> >> >> -- >> >> o >> W. Luis Mochán, | tel:(52)(777)329-1734 /<(*) >> Instituto de Ciencias Físicas, UNAM | fax:(52)(777)317-5388 `>/ /\ >> Av. Universidad s/n CP 62210 | (*)/\/ \ >> Cuernavaca, Morelos, México | moc...@fis.unam.mx /\_/\__/ >> GPG: 791EB9EB, C949 3F81 6D9B 1191 9A16 C2DF 5F0A C52B 791E B9EB >> >
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