hbar=1, coefficient=potentialCoefficient, potentialMaximum=potentialMaximum) potentialBody.state = QMStPotentialCoulomb( se3=[potentialCenter, Quaternion((1, 0, 0), 0)]) id_H = O.bodies.append(potentialBody) ## Define timestep for the calculations #O.dt=.000001 O.dt = 2 ## Save the scene to file, so that it can be loaded later. Supported extension are: .xml, .xml.gz, .xml.bz2. O.save('/tmp/a.xml.bz2') #o.run(100000); o.wait(); print o.iter/o.realtime,'iterations/sec' try: from yade import qt qt.Controller() qt.controller.setWindowTitle("2D eigenwavefunction in Coulomb potential") qt.controller.setViewAxes(dir=(0, 1, 0), up=(0, 0, 1)) qt.Renderer().blinkHighlight = False qt.View() qt.views()[0].center(False, 80) # median=False, suggestedRadius = 5 Gl1_QMGeometry().analyticUsesStepOfDiscrete = True Gl1_QMGeometry().analyticUsesScaleOfDiscrete = False O.bodies[id_H].shape.displayOptions[0].step = [2.0, 2.0, 2.0] except ImportError: pass #O.run(20000)
O.bodies[nid].state.setNumeric() # is being propagated by SchrodingerKosloffPropagator ## 3: The box with potential potentialBody = QMBody() potentialBody.shape = QMGeometry(extents=potentialHalfSize,color=[0.1,0.4,0.1],displayOptions=[QMDisplayOptions(**displayOptionsPot)]) potentialBody.material = QMParametersCoulomb(dim=dimensions,hbar=1,coefficient=potentialCoefficient) potentialBody.state = QMStPotentialCoulomb(se3=[potentialCenter,Quaternion((1,0,0),0)]) O.bodies.append(potentialBody) ## Define timestep for the calculations #O.dt=.000001 O.dt=.1 ## Save the scene to file, so that it can be loaded later. Supported extension are: .xml, .xml.gz, .xml.bz2. O.save('/tmp/a.xml.bz2'); #o.run(100000); o.wait(); print o.iter/o.realtime,'iterations/sec' try: from yade import qt qt.Controller() qt.controller.setViewAxes(dir=(0,1,0),up=(0,0,1)) qt.controller.setWindowTitle("Gaussian packet in 3D Coulomb potential") qt.Renderer().blinkHighlight=False qt.View() qt.views()[0].center(False,5) # median=False, suggestedRadius = 5 except ImportError: pass #O.run(20000)
qt.View() print 'Created view' glv0 = qt.GLViewer() print 'view #0' # get GLViewer instance for the primary view glv0.grid = True, True, False print 'grid x,y' glv0.axes = True print 'axes shown' glv0.screenSize = 200, 200 print 'screen size set to 200x200' glv0.center(True) print 'median center' # median center - will fallback since there are only 2 bodies ## ## !!! If you enable this, you may crash your machine !!! ## if False: glv1 = qt.View() print 'Created 2nd view' # create new view glv1.fps = True print 'fps shown' glv1.lookAt = (0, 1, 0) print 'lookAt set' glv1.viewDirection = (0, -1, 0) print 'viewDirection set' glv1.center() print 'center' print 'list of views:', qt.views() # list all views we have print "CONGRATULATIONS! You passed the OpenGL test without crash or freeze :-)"
#O.dt=200 O.dt = 0.0000001 #O.save('/tmp/a.xml.bz2'); #o.run(100000); o.wait(); print o.iter/o.realtime,'iterations/sec' try: from yade import qt qt.Controller() qt.controller.setViewAxes(dir=(0, 1, 0), up=(0, 0, 1)) qt.controller.setWindowTitle(sys.argv[0]) qt.Renderer().blinkHighlight = False qt.Renderer().light1Pos = Vector3(1175, 1130, 500) qt.Renderer().light2Pos = Vector3(-1130, 575, 230) qt.View() #qt.Renderer().light2Pos=Vector3(Pot_x,Pot_y,30) qt.views()[0].center(False, size1d * 1.5) # median=False, suggestedRadius = 5 except ImportError: pass # #for i in range(81): # O.step() # O.dt=100 # if(i%5==0): # O.save(str(sys.argv[0])+"_"+str(O.iter)+".yade.bz2") #
# it does in your case. # from yade import qt from yade import utils O.bodies.append(utils.box([0,0,0],[1,1,1],color=[1,0,0])) O.bodies.append(utils.sphere([0,2,0],1,color=[0,1,0])) print('Begin here.') qt.View(); print('Created view') glv0=qt.GLViewer(); print('view #0') # get GLViewer instance for the primary view glv0.grid=True,True,False; print('grid x,y') glv0.axes=True; print('axes shown') glv0.screenSize=200,200; print('screen size set to 200x200') glv0.center(True); print('median center') # median center - will fallback since there are only 2 bodies ## ## !!! If you enable this, you may crash your machine !!! ## if False: glv1=qt.View(); print('Created 2nd view') # create new view glv1.fps=True; print('fps shown') glv1.lookAt=(0,1,0); print('lookAt set') glv1.viewDirection=(0,-1,0); print('viewDirection set') glv1.center(); print('center') print('list of views:',qt.views()) # list all views we have print("CONGRATULATIONS! You passed the OpenGL test without crash or freeze :-)")