Homec4science
Diffusion lammps (lammm-devel) Browse

lammps/tools/i-pi/drivers
475aa20270a7lammm-devel

Compare
Back to HEAD
History

drivers

LJ.f90
Makefile
README
SG.f90
distance.f90
driver.f90
sockets.c

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