6.2. Initialization and Parameters

Table 6.1: Initialization and Parameter Subroutines

Subroutine

Description

SUBROUTINE MCINIT (LINKMC, LOUT, LENIMC, LENRMC, IMCWRK, RMCWRK)

This subroutine serves to read the Linking File from the fitting code and to create the internal storage and work arrays, IMCWRK(*) and RMCWRK (*). MCINIT must be called before any other Transport subroutine is called. It must be called after the Gas-phase Kinetics package is initialized.

SUBROUTINE MCPRAM (IMCWRK, RMCWRK EPS, SIG, DIP, POL, ZROT, NLIN)

This subroutine is called to return the arrays of molecular parameters as read from the Transport database.

SUBROUTINE MCPNT (LSAVE, LOUT, NPOINT, V, P, LI, LR, IERR)

Reads from a binary file information about a Transport linkfile, pointers for the Transport Library, and returns lengths of work arrays.

SUBROUTINE MCSAVE (LOUT, LSAVE, IMCWRK, RMCWRK)

Writes to a binary file information about a Transport linkfile, pointers for the Transport library, and Transport work arrays.

SUBROUTINE MCREWR (LINKMC, LOUT, IMCWRK, RMCWRK, IFLAG)

This subroutine writes a new the Transport linkfile from the data stored in the integer and real work arrays, IMCWRK(*) and RMCWRK(*).

SUBROUTINE MCLEN (LINKMC, LOUT, LI, LR, IFLAG)

Returns the lengths required for work arrays.