| 10:41:25 AM PDT - Thu, Oct 24th 2019 |
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The code will always produce an xyz trajectory file with the exception being if
print_xyz n
nsteps_nucl m
where n>m
e.g. you tell the code to run 100 steps but also tell it to only print the trajectory file every 200 steps. By default the print_xyz keyword is set to 1, so the code will output the coordinates, etc to the xyz file every step by default.
If you are running one of the examples from the documentation, are you getting any of the output files back (*.db, *.movecs, etc)? Are you receiving any error messages either in the NWChem output or from your system that indicates that files could not be created/modified/copied?
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