Having trouble understanding how to use EMoSLERP

[sgbaird]

Is there some documentation that I'm missing? It seems like I may need an input file, but I'm having trouble finding the format of said file.
https://github.com/EMsoft-org/EMsoft/blob/develop/Source/GBs/EMoSLERP.f90

[marcdegraef]

Assuming that you have a properly installed EMsoft package, you should be able to use the command line in a terminal to run EMoSLERP -t to place a template namelist file in your current folder.  The contents of that file are shown below...  Rename the file to EMoSLERP.nml and edit the values, then execute the EMoSLERP program...  This assumes that you have PoVray installed as well... This program has not been used by anyone outside of CMU, so it is possible that you will run into a hard-coded file path; if that happens just let me know what kind of error you run into and I will post a fix as soon as I can get to it. Hope that helps. Marc. &oSLERPlist ! GBmode 'normal' for normal/misorientation approach, 'octonions' for (qA, qB) approach  GBmode = 'octonion', ! output mode:  'spheres' or 'cubes'  rendermode = 'cubes', ! name of the crystal structure file  xtalname = 'undefined', ! povrayfile with relative path  povrayfile = 'undefined', ! framefolder name (will be inside current folder)  framefolder = 'frames', ! moviename (just the filename, no path)  moviename = 'movie.mp4', ! angular step size to be used in the movie (dOmega/frame in degrees)  dOmega = 0.25D0, ! framesize for the movie (square frames)  framesize = 1024, ! if GBmode = 'normal', then complete the following three variables:  qm = 1.D0 0.D0 0.D0 0.D0,  mA = 0.D0 0.D0 1.D0,  mC = 0.D0 0.D0 1.D0, ! if GBmode = 'octonion' then complete the following two octonions  o1 = 1.D0 0.D0 0.D0 0.D0 1.D0 0.D0 0.D0 0.D0,  o2 = 1.D0 0.D0 0.D0 0.D0 1.D0 0.D0 0.D0 0.D0,  /

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On 3/6/21 3:18 AM, sgbaird wrote: Is there some documentation that I'm missing? It seems like I may need an input file, but I'm having trouble finding the format of said file. https://github.com/EMsoft-org/EMsoft/blob/develop/Source/GBs/EMoSLERP.f90 <https://github.com/EMsoft-org/EMsoft/blob/develop/Source/GBs/EMoSLERP.f90> — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#140>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AB26VWEDUE3ITVTONRKVAMLTCHQN5ANCNFSM4YWPVAQQ>.

-- Marc De Graef Professor Department of Materials Science and Engineering 130 Roberts Engineering Hall Carnegie Mellon University 5000 Forbes Avenue Pittsburgh, PA 15213-3890 USA Ph: (412) 268-8527 Fx: (412) 268-7596 email:[email protected] web:http://materials.cmu.edu/degraef Admin. Asst.: Marygrace Antkowski Phone: (412) 268-7240

[sgbaird]

Thank you for this! I'll give it a try