marcdegraef
commented
3 years ago 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, /
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
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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