README.md

CMI fly

A simple Python program for trajectory-based simulations of the deflection of molecular beams in inhomogeneous electric fields.

The initial version of this code was published in the following paper and any use of the code should reference that publication:

Yuan-Pin Chang, Daniel Horke, Sebastian Trippel, Jochen Küpper: Spatially-controlled complex molecules and their applications, International Reviews in Physical Chemistry 34, 557–590 (2015); arXiv:1505.05632 [physics].

See the accompanying license and the documentation for further details.

Getting Started with CMIfly

For now, get the latest version from github and run CMIfly.py.

This requires a Stark-energy file from CMIstark for the molecule/state of interest.

Documentation

For now, this code is undocumented; this needs to be changed;-)

Some notes on the usage for different setups

For the a-type deflector, use the following lines in CMIfly.py:

deflector_fieldnorm_filename     = 'deflector_field_norm'
deflector_fieldgradient_filename = 'deflector_field_gradient'
# deflector_voltage for which the fields were calculated (kV)
deflector_field_voltage = 5.
# geometric boundary of the deflector
rod_center = [0, 0.0036] # rod center (x,y)
rod_radius = 0.003 # rod radius
trough_center = [0, 0.002408] # trough center (x,y)
trough_radius = 0.0032 # trough radius

For the b-type deflector, use the following lines in CMIfly.py:

deflector_fieldnorm_filename     = 'Ec.norm.txt'
deflector_fieldgradient_filename = 'gt.grad.txt'
# deflector_voltage for which the fields were calculated (kV)
deflector_field_voltage = 60.
# geometric boundary of the deflector
rod_center = [0, 0.0036] # rod center (x,y)
rod_radius = 0 #0.003 # rod radius
trough_center = [0, 0.002408] # trough center (x,y)
trough_radius = 0 #0.0032 # trough radius
Since the rod_radius = 0, it will now use the fields to determine the edge of the deflector