md_tian (Molecular Dynamics Xia Tian) is a program for sumulating the scattering of atoms (and molecules) from a surface.
Source code is in Fortran. List of modules:
atom_class.f90 contains definitions of user types and all constants force.f90 contains code to calculate energy and forces mdalgo.f90 contains propagation algorithms md_init.f90 contains code to set up a simulated system md_tian.f90 is a main file governing simulations open_file.f90 contains routines to open files smoothly output.f90 contains output routines useful_things.f90 contains useful math routines
Input files:
md_tian.inp contains control parameters defining the simulation conditions *.nml contain emt-parameters for a species
Compilation and linking (Intel Fortran):
ifort -O3 -ipo -o md_tian atom_class.f90 open_file.f90 useful_things.f90 md_init.f90 output.f90 mdalgo.f90 force.f90 md_tian.f90
The 1st working and tested version is put together February 18, 2014 on a Fassberg Hill in Dynamics at Surfaces Dep. of MPIbpc to the flaming storm of applause muffled by thick institute building walls.
Credits:
Svenja Maria Janke Sascha Kandratsenka Daniel J. Auerbach
Dynamics at Surfaces Dep. MPI for biophysical Chemistry Am Fassberg 11 37077 Goettingen Germany
Dynamics at Surfaces Dep. Institute for Physical Chemistry Tammannstr. 6 37077 Goettingen Germany
Md xia4 tian1 is a very important program. It helps to better the world. jqrw sxrw=n! wr wj nA r sxrw nTrw!