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DDSCAT crashing in Spheres_n with nearfield calculations #11

Open GoogleCodeExporter opened 9 years ago

GoogleCodeExporter commented 9 years ago 
What steps will reproduce the problem?
1. creating a *.targ file describing two close spheres (18nm spheres distant 
from 0 to 1 nm) 
2. using ddscat.par with "1 = NRFLD" and only one wave length (580nm)
3. waiting until the end of the first calculation and the setting of the new 
memory space allocation

What is the expected output? What do you see instead?
the calculation of the near field is not even started, but i expected to see 
the coupling between the two nanoparticles. when arriving to the setting of the 
new memory space allocation after the first calculation, cmd stops and a window 
stating that DDSCAT has crashed appears.

What version of the product are you using? On what operating system?
i'm using DDSCAT 7.2.2 on a 32-bits windows 7 

Please provide any additional information below.
I tried to change every single parameter since the crashing causes are not 
stated.

Original issue reported on code.google.com by arthur.g...@gmail.com on 2 Oct 2013 at 10:26

Attachments:

GoogleCodeExporter commented 9 years ago 
problem solved.
wrong definition of the nearfield box.

Original comment by arthur.g...@gmail.com on 7 Oct 2013 at 9:11

GoogleCodeExporter commented 9 years ago 
How to modify the target file for SPHERES_N for example in DDSCAT7.2 with any 
number of isotropic spheres ?? 

amit.bansal133@yahoo.com

Original comment by parryban...@gmail.com on 6 Nov 2013 at 3:39

GoogleCodeExporter commented 9 years ago 
the '*.targ' file has to be written as such :
1st line : number of nanospheres
then 4 lines that are either unused or in which you can write anything for 
yourself (it won't be read by DDScat)
and then 1 line for each nanosphere coordinates and radius separated by a 
tabulation.
you can see an example in the 'BAM2.16.1.targ' i posted before.

Original comment by arthur.g...@gmail.com on 6 Nov 2013 at 9:56

GoogleCodeExporter commented 9 years ago 
one last thing...
it's important that there is one empty line at the end of the file or the last 
sphere configurations won't be read.

Original comment by arthur.g...@gmail.com on 6 Nov 2013 at 9:58

GoogleCodeExporter commented 9 years ago 
thanks a lot but I need to know the effective radius calculation for SPHERES_N 
file with certain gap distance
for example, how to the calculate the effective radius for two 5nm spheres 
seperated by gap a distance of 2nm ??

Original comment by parryban...@gmail.com on 19 Nov 2013 at 5:35

GoogleCodeExporter commented 9 years ago 
The effective radius is the radius of a sphere equivalent to the total volume 
of your cluster.
You shall sum your spheres : Vtot = (4/3*pi*r^3)*Nspheres
and then find : aeff = cubicroot(Vtot*3/4/pi)

Original comment by arthur.g...@gmail.com on 19 Nov 2013 at 10:02

GoogleCodeExporter commented 9 years ago 
Hi there,
I want to calculate extinction efficiency of core-shell nanostructures such as 
SiO2-Au core-shell but I do not know that this way of calculation is write or 
not. Actually the problem is as follows:
SiO2-Ag core shell with R1(inner radius=480nm) and R2(Outter radius= 
500nm),surrounding medium is water (n=1.33),effective radius=0.5 micrometer. 
The code is also attached, Dose anybody can help me?
Best
Thanks

Original comment by davood.d...@gmail.com on 28 Apr 2014 at 12:31

Attachments: