CRYSTAL_QED - Crystallization Optimization

CRYSTAL_QED seeks a set of parameters that minimize a cost functional associated with a crystallization problem. The bounded and constrained least squares solver DQED is used for the minimization.

Files you may copy include:

crystal_qed.f90, the source code.

crystal_qed.out, sample problem output.

crystal_qed.rs, a restart file.

crystal_qed.tec, data from the program suitable for input to the graphics program TECPLOT.

The list of routines includes:

CRYSTAL_QED seeks parameters that minimize a crystallization cost functional.

DQEDEV evaluates certain functions being treated by DQED.

FUNC communicates between the optimizer and the constitutive routines.

ADAPT executes MAGG, the multizone adaptive grid generation.

CUBIC constructs a cubic spline through data.

DAMAX returns the maximum absolute value of the entries of a vector.

DIFLOW computes the convection-diffusion coefficient ACOF.

DOAREA calculates control volume areas.

FINDP finds the boundary nodes associated with a Neumann condition.

FLUX computes the flux of various quantities.

GAMSOR sets the coefficients for the transport problems.

GRADNT estimats the gradient of PHI at a primary node index (I,J).

HELLO prints a brief message identifying the program.

INIDAT sets the initial values of certain data.

INIGRD makes an initial assignment of the grid points XC, YC.

MOVGRD calculates the new position of the interface and free surface.

OUTPUT prints some sample data from the ongoing solution.

PMOD interpolates the pressure at boundary corners.

PRDAT prints out the initial values of certain data.

RESID computes the residual of the linear equations.

RSWRIT writes out information which can be used for restarts or plots.

SETCST computes a portion on the cost functional.

SETGEO calculates various geometric quantities.

SETP estimates the values of pressure at the interfaces.

SETRU estimates the normal mass velocity component at interfaces.

SETUP calculates the coefficients of the equations, and solves them.

SETX calculates the locations of the primary nodes.

SOLVE1 sets or modifies certain entries of the linear system.

SOLVE2 is the tridiagonal matrix solver.

TIMESTAMP prints the current YMDHMS date as a time stamp.

VORTIC computes the value of the vorticity.

WRTEC writes solution data to a TECPLOT input file.

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Last revised on 18 February 2002.