ADDA > runtime argument > -orient <alpha> <beta> <gamma>

動作環境

GeForce GTX 1070 (8GB)
ASRock Z170M Pro4S [Intel Z170chipset]
Ubuntu 16.04 LTS desktop amd64
TensorFlow v1.2.1
cuDNN v5.1 for Linux
CUDA v8.0
Python 3.5.2
IPython 6.0.0 -- An enhanced Interactive Python.
gcc (Ubuntu 5.4.0-6ubuntu1~16.04.4) 5.4.0 20160609
GNU bash, version 4.3.48(1)-release (x86_64-pc-linux-gnu)
scipy v0.19.1
geopandas v0.3.0
MATLAB R2017b (Home Edition)
ADDA v.1.3b6

This article is related to ADDA (light scattering simulator based on the discrete dipole approximation).

This articles shows the runtime arguement of ADDA in terms of the Euler angle for the particle orientation.

adda command

$ ./adda -h orient
  -orient {<alpha> <beta> <gamma>|avg [<filename>]}
Either sets an orientation of the particle by three Euler angles
'alpha','beta','gamma' (in degrees) or specifies that orientation averaging
should be performed. <filename> sets a file with parameters for orientation
averaging. Here zyz-notation (or y-convention) is used for Euler angles.
Default orientation: 0 0 0
Default <filename>: avg_params.dat

run

$ ./adda -orient 30 45 60
all data is saved in 'run6119_sphere_g16_m1.5'
box dimensions: 16x16x16
lambda: 6.283185307   Dipoles/lambda: 15
Required relative residual norm: 1e-05
Total number of occupied dipoles: 2176
Memory usage for MatVec matrices: 1.3 MB
Calculating Green's function (Dmatrix)
Fourier transform of Dmatrix......
Initializing FFTW3
Total memory usage: 2.2 MB

here we go, calc Y

CoupleConstant:0.005305699626+1.876720049e-05i
x_0 = 0
RE_000 = 1.0000000000E+00
RE_001 = 8.3832261701E-01  + 
...
RE_023 = 1.5592395049E-05  + 
RE_024 = 4.4244426960E-06  + 
Cext    = 135.1408442
Qext    = 3.793842946
Cabs    = -4.157502341e-16
Qabs    = -1.1671461e-17

here we go, calc X

CoupleConstant:0.005371256686+1.923384555e-05i
x_0 = 0
RE_000 = 1.0000000000E+00
RE_001 = 8.3836740461E-01  + 
...
RE_023 = 3.1605763674E-05  + 
RE_024 = 4.4500469813E-06  + 
Cext    = 135.2082992
Qext    = 3.795736626
Cabs    = -0
Qabs    = -0

$ grep orient run6119_sphere_g16_m1.5/log 
command: './adda -orient 30 45 60 '
Particle orientation (deg): alpha=30, beta=45, gamma=60