lammps/tools/i-pi/drivers775e8f3cc8f5lammm-master
lammps/tools/i-pi/drivers
775e8f3cc8f5lammm-master
README
README
- Driver code directory --
- This gives simple test driver codes.
- Files:
- LJ.f90: Calculates the Lennard-Jones potential/forces/virial.
- SG.f90: Calculates the Silvera-Goldman potential/forces/virial.
- distance.f90: Deals with calculating the separation between atoms and the neighbour list calculation.
- sockets.c: Contains the functions to create the client socket and read from and write to it.
- driver.f90: Socket interface for the driver codes.
- Makefile: A makefile that which compiles all the fortran code as necessary.
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