Open sgbaird opened 4 years ago
Hi,
that functionality is currently not there but should be easy enough to add. I will try to get to it sometime in the next week or so.
So, your input file would have a list of pairs of octonions, correct?
Regards, Marc.
On 7/22/20 7:08 AM, sgbaird wrote:
It seems that there's functionality for computing a histogram of CSL or random grain boundary pair angles (EMBGO) and for computing a pairwise distance matrix (EMGBOpd). It would be great if EMGBO or EMBGOpd (preferably the first) could be modified to take a user-specified list of grain boundary pairs, similar to the MATLAB implementation GBdist.m. Is this functionality present, but I'm just missing it?
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Hi Marc,
Thank you very much - this would help a lot. Yes, that's correct.
Sterling
Hi Sterling,
I have added a file option to EMGBO; appears to work fine but let me know if you experience any issues.
There is now an extra parameter in the namelist file called "octonions"; when set to 'random' the program will generate its own random list of octonion pairs; when set to a filename, it will read the octonions from that file. The first line in the file should be the number N of octonion pairs, followed by one octonion per line (2N lines).
Regards, Marc.
On 7/22/20 7:53 AM, sgbaird wrote:
Hi Marc,Thank you very much - this would help a lot. Yes, that's correct.SterlingOn Jul 22, 2020 5:44 AM, Marc De Graef notifications@github.com wrote:
Hi,
that functionality is currently not there but should be easy enough to
add. I will try to get to it sometime in the next week or so.
So, your input file would have a list of pairs of octonions, correct?
Regards, Marc.
On 7/22/20 7:08 AM, sgbaird wrote:
It seems that there's functionality for computing a histogram of CSL
or random grain boundary pair angles (EMBGO) and for computing a
pairwise distance matrix (EMGBOpd). It would be great if EMGBO or
EMBGOpd (preferably the first) could be modified to take a
user-specified list of grain boundary pairs, similar to the MATLAB
implementation GBdist.m. Is this functionality present, but I'm just
missing it?
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Hi Marc,
Thank you very much! This is great. I will let you know if I run into trouble.
Sterling
It seems that there's functionality for computing a histogram of CSL or random grain boundary pair angles (EMBGO) and for computing a pairwise distance matrix (EMGBOpd). It would be great if EMGBO or EMGBOpd (preferably the first) could be modified to take a user-specified list of grain boundary pairs, similar to the MATLAB implementation GBdist.m. Is this functionality present, but I'm just missing it? (I assume EMoSLERP doesn't have it either, which I had trouble finding documentation for).
Alternatively, I'm considering plugging single pair text files into EMGBOpd; however, I'm worried about whether or not that will result in a significant slow-down.