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hi, u have to generate a restart file by running lammps again even if u want to reproduce the example. Then the restart file would be suitable for your machine. Btw, u can simply rerun the thermal.in in the example directory, then the restart file would be generated. For more details, see Readme.
from new-version-spectral-decomposition-python-tools.
from new-version-spectral-decomposition-python-tools.
Hi, with your help, I have run the thermal.in and force_calculate.py successfully,and I also follow the readme file to generate the compactify_vels from compactify_vels.cpp script and I add it to the SHC_calculate file, but when I run the SHC_generate.py script, the command line have the error: FileNotFoundError: [Errno 2] No such file or directory: 'compactify_vels', can you help me to solve it. By the way, the generate_force.log is:
LAMMPS (2 Aug 2023 - Update 2)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
using 1 OpenMP thread(s) per MPI task
Loaded 1 plugins from C:\Users\18066\AppData\Local\LAMMPS 64-bit 2Aug2023-MSMPI with Python\plugins
Total wall time: 0:00:00
I'm sorry for spending a lot of your time answering my question today!
thanks!
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