From a540b4971fabc95aa11e3f210ed68733bf122259 Mon Sep 17 00:00:00 2001
From: "Paul A. Walker" <46998441+DurhamDecLab@users.noreply.github.com>
Date: Mon, 15 Apr 2019 17:18:32 +0100
Subject: [PATCH] Add files via upload

---
 3D_ARBInterpExample.py | 48 +++++++++++++++++++++++++++++++++++++++++
 4D_ARBInterpExample.py | 49 ++++++++++++++++++++++++++++++++++++++++++
 ARBTrajecExample.py    | 29 +++++++++++++++++++++++++
 3 files changed, 126 insertions(+)
 create mode 100644 3D_ARBInterpExample.py
 create mode 100644 4D_ARBInterpExample.py
 create mode 100644 ARBTrajecExample.py

diff --git a/3D_ARBInterpExample.py b/3D_ARBInterpExample.py
new file mode 100644
index 0000000..06aec06
--- /dev/null
+++ b/3D_ARBInterpExample.py
@@ -0,0 +1,48 @@
+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)
diff --git a/4D_ARBInterpExample.py b/4D_ARBInterpExample.py
new file mode 100644
index 0000000..fc6579f
--- /dev/null
+++ b/4D_ARBInterpExample.py
@@ -0,0 +1,49 @@
+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)
diff --git a/ARBTrajecExample.py b/ARBTrajecExample.py
new file mode 100644
index 0000000..fbd1a16
--- /dev/null
+++ b/ARBTrajecExample.py
@@ -0,0 +1,29 @@
+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