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3D_ARBInterpExample.py

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+from __future__ import division
+import numpy as np
+from ARBTools.ARBInterp import tricubic
+
+######################################################################
+
+if __name__ == '__main__':
+	fieldname = "Example3DScalarField"
+
+	print ("--- Loading field ---")
+	field = np.genfromtxt(fieldname+'.csv', delimiter=',')
+
+	Run = tricubic(field)	# mode kword arg will be ignored if a scalar (Nx4) input is detected
+
+	coords=np.zeros((20,3))
+	coords[:,0]=np.linspace(-2e-3,2e-3,20)
+	coords[:,1]=np.linspace(-2e-3,2e-3,20)
+	coords[:,2]=np.linspace(-2e-3,2e-3,20)
+
+	output = Run.Query((coords[3]))
+	print ('\n')
+	print ('Single point query, scalar field:')
+	print (output)
+	print ('\n')
+
+	Comps = Run.Query(coords)
+	print ('\n')
+	print ('Multi point query, scalar field:')
+	print (Comps)
+
+
+	fieldname = "Example3DVectorField"
+
+	print ("--- Loading field ---")
+	field = np.genfromtxt(fieldname+'.csv', delimiter=',')
+
+	Run = tricubic(field, mode='both')	# mode options are 'both', 'vector' or 'norm', defaults to 'vector'. Pass arg 'quiet' to suppress setup text
+
+	output = Run.Query((coords[3]))
+	print ('Single point query, vector field:')
+	print ('\n')
+	print (output)
+	print ('\n')
+
+	Comps = Run.Query(coords)
+	print ('Multi point query, vector field:')
+	print ('\n')
+	print (Comps)

4D_ARBInterpExample.py

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+from __future__ import division
+import numpy as np
+from ARBTools.ARBInterp import quadcubic
+
+######################################################################
+
+if __name__ == '__main__':
+	fieldname = "Example4DScalarField"
+
+	print ("--- Loading field ---")
+	field = np.genfromtxt(fieldname+'.csv', delimiter=',')
+
+	Run = quadcubic(field)	# mode kword arg will be ignored if a scalar (Nx5) input is detected
+
+	coords=np.zeros((20,4))
+	coords[:,0]=np.linspace(-2e-3,2e-3,20)
+	coords[:,1]=np.linspace(-2e-3,2e-3,20)
+	coords[:,2]=np.linspace(-2e-3,2e-3,20)
+	coords[:,3]=np.linspace(-3e-6,3e-6,20)
+
+	output = Run.Query((coords[3]))
+	print ('\n')
+	print ('Single point query, scalar field:')
+	print (output)
+	print ('\n')
+
+	Comps = Run.Query(coords)
+	print ('\n')
+	print ('Multi point query, scalar field:')
+	print (Comps)
+
+
+	fieldname = "Example4DVectorField"
+
+	print ("--- Loading field ---")
+	field = np.genfromtxt(fieldname+'.csv', delimiter=',')
+
+	Run = quadcubic(field, mode='both')	# mode options are 'both', 'vector' or 'norm', defaults to 'vector'. Pass arg 'quiet' to suppress setup text
+
+	output = Run.Query((coords[3]))
+	print ('Single point query, vector field:')
+	print ('\n')
+	print (output)
+	print ('\n')
+
+	Comps = Run.Query(coords)
+	print ('Multi point query, vector field:')
+	print ('\n')
+	print (Comps)

ARBTrajecExample.py

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+from __future__ import division
+import numpy as np
+from ARBTools.ARBInterp import tricubic
+#from ARBTools.ARBTrajec 
+from A5_03032019 import trajectories
+
+############################### Skookum ###############################
+
+if __name__ == '__main__':
+	mAr = 39.948		# Mass Ar
+	N = 100		# number of atoms
+	T = 0.01		# temperature in K
+
+	moment = 3	#	magnetic moment in Bohr magnetons - mJ x g-factor (neglecting nuclear spin, use mF if I!=0)
+	# testing with Ar in 3P2 state: mJ = 2, low-field-seeking
+
+	tmax = 0.01	# end time of simulation
+	timestep = 1e-6 # acceptable timestep depends on shape of potential!
+
+	fieldname = "ExampleVectorField"
+	field = np.genfromtxt(fieldname+'.csv', delimiter=',') # field to be interpolated
+
+	ArTest = trajectories(field) # creates class to iterate particle trajectories
+	ArSample = ArTest.atoms(T,N, mAr)	# creates random sample of Ar atoms
+	np.savetxt('Rand_In.csv', ArSample, delimiter=',')	# Save initial sample to file
+
+	ArTest.Iterate(ArSample, tmax, timestep, mAr, moment)	# tracks motion of particles through field for some time
+
+	np.savetxt('Rand_Out.csv', ArSample, delimiter=',')	# Save final sample to file