CRYSTAL - Silicon Crystallization Simulation

CRYSTAL is a program used to simulate the process of creating a crystal of silicon for use in creating computer chips.

CRYSTAL carries out a minimization, for which it calls TOMS611S, a minimization algorithm from the ACM TOMS algorithm collection.

Files you may copy include:

• crystal.f90, the source code.
• crystal.out, the output of a sample run.
• crystal.txt, some development notes.
• crystal_dic.txt, a data dictionary.
• crystal_rs.txt, a restart file.

The list of routines includes:

• CRYSTAL is the main program for the crystal simulation.
• DUMMY is a dummy subroutine needed as formal input to CRYFUN.
• CRYFUN evaluates the cost function for the minimizing software.
• ADAPT executes MAGG, the multizone adaptive grid generation.
• CUBIC constructs a cubic spline through data.
• DAMAX returns the maximum absolute value in a real vector.
• DIFLOW computes the convection-diffusion coefficient.
• DOAREA computes the area of the control volumes.
• FINDP finds the boundary nodes for a Neumann BC.
• FLUX computes the value of the flux of various quantities.
• GAMSOR sets the coefficients for the transport problems.
• GRADNT calculates gradients at the primary nodes.
• INIDAT sets the initial values of certain data.
• INIGRD makes an initial assignment of the grid points XC, YC.
• INITL estimates quantities at control volume interfaces.
• MOVGRD calculates the new position of the interface and free surface.
• OUTPUT prints information about the current solution.
• PMOD extends pressure values from primary nodes to corner nodes.
• PRDAT prints out the initial values of certain data.
• RESID computes the linear equation residual at interior primary nodes.
• RSWRIT writes out restart information.
• SETCST computes a portion of the cost functional.
• SETGEO calculates various geometric quantities.
• SETUP calculates the coefficients of the equations, and solves them.
• SETX locates the primary nodes from the corner nodes.
• SOLVE1 sets or modifies the linear system to be handled by SOLVE2.
• SOLVE2 is the tridiagonal matrix solver.

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