SOLVER FOR THE TIME-DEPENDENT SCHROEDINGER EQUATION Please use the file 'hydr_harm.c' to generate executables that simulate the time evolution of a wave function in the harmonic potential between two hydrogen atoms. Precompiled executables can be found in the folder 'executables'. For compiling new executables please use the 'Makefile'. In the folder 'sample_outputs' you can find outputs which were generated using the hydr_harm_crank_nicolson with the parameters as shown in the readme in that folder. The functions are structured the following way: geometry.c: index2coord calculates the coordinates that correspond to the index of a lattice point coord2index calculates the index that corresponds to the coordinates of a lattice point nneighbour calculates the indices of next neighbours of a point (index given) in a specified dimension and direction nneighbour_init used to create an array that contains all the next neighbours laplacian.c: laplacian uses the array of next neighbours to calculate the symmetrical discrete laplacian of a given point (index) vmath.c: miscancellous functions that perform mathematical operations (esp. vector operations) cg implementation of the conjugate gradient algorithm that solves for the vector x in a matrix-vector equation Ax=b hamiltonian.c: hamiltonian calculates the Hamiltonian of an input wave function gen_pot_harmonic used to generate a harmonic potential gen_pot_box used to generate a quantum well potential integrators.c: step_euler calculates one time step with Euler method time integration step_cn calculates one time step with Crank-Nicolson time integration step_strang calculates one time step with Strang-splitting time integration structs.h: defines a set of parameters that are given to function to make parameter passing less confusing observables.c: obs_norm calculates the normalisation of a wave function obs_E calculates the energy expectation value of a wave function obs_x calculates the spacial expectation value of a wave function in a specified dimension obs_p calculates the momentum expectation value of a wave function in a specified dimension obs_delta_x calculates the spacial width of a wave function obs_delta_p calculates the momentum width of a wave function