lammps/tools/i-pi/drivers576c6315c7f1efficient_neuronet
lammps/tools/i-pi/drivers
576c6315c7f1efficient_neuronet
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.
c4science · Help