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diff --git a/docs/schrodinger_solve.rst b/docs/schrodinger_solve.rst index a4535b0..46a4596 100644 --- a/docs/schrodinger_solve.rst +++ b/docs/schrodinger_solve.rst @@ -1,3 +1,55 @@ ***************** Schrodinger Solve ***************** + +Solves the one-dimensional, time independent Schroedinger's equation for a given +system and generates files with the energies, potential, wave functions and +expectation value of the position of the particles. schrodinger_solve takes a +file describing the parameters to use and the potential (see below for file +format). + +**Usage** +:: + + schrodinger_solve [-h] [-o OUTPUT_DIR] filename + +**Command line options** +:: + + positional arguments: + filename File describing the system to solve + + options: + -h, --help show this help message and exit + -o OUTPUT_DIR, --output-dir OUTPUT_DIR + Output directory for the results + + +**Input file format** + +The input file format consist of a five line header followed by a csv style, two +column table describing the potential. Lines in the header that specify multiple +parameters are separated by whitespace characters (tab or space). Parameters +must be given in a fixed order. Comments discard the rest of the line and +may be added with a ``#`` character. An empty line is discarded and the next +non-empty line specifies the next parameter. A concrete example is given below. +:: + + <mass> + <x-min> <x-max> <n-points> + <first-eigenvalue> <last-eigenvalue> + <interpolation-type> + <n> + <x1> <y1> + <x2> <y2> + ... + <xn> <yn> + +- mass: (real) Mass of the particle +- x-min, x-max: (real) Solution interval +- n-points: (integer) Number of points in the discretization of the solution + interval +- first-eigenvalue, last-eigenvalue: (integer) Interval of energy eigenvalues to + generate + +Further examples can be found in the subfolders inside ``test`` |