5.2. Initialization

Table 5.1: Initialization Subroutines

Subroutine

Description

SUBROUTINE SKINDX (ISKWRK, NELM, KKGAS, KKSUR, KKBULK, KKTOT, NNPHAS, NNSURF, NFSURF, NLSURF, NNBULK, NFBULK, NLBULK, IISUR)

Returns a group of indices defining the size of the surface reaction mechanism.

SUBROUTINE SKINIT (LENISK, LENRSK, LENCSK, LINSK, LOUT, ISKWRK, RSKWRK, CSKWRK, IFLAG)

Reads the surface linkfile and creates internal work arrays ISKWRK, RSKWRK, and CSKWRK. SKINIT must be called before any other Surface Kinetics subroutine can be used, as the work arrays must be available as their input.

SUBROUTINE SKLEN (LINSK, LOUT, LENI, LENR, LENC, IFLAG)

Reads the first record of the linkfile to return the lengths required for the integer, real, and character work arrays.

SUBROUTINE SKLEN2 (LINSK, LOUT, LENI, LENR, LENC, NELEM, NKKGAS, NKKSUR, NKKBLK, NKKTOT, NPHASE, NNSUR, NNBLK, NIISUR, NIICON, MORE, IFLAG)

Reads the first record of the linkfile to return the lengths required for the integer, real, and character work arrays, as well as other size information needed for memory allocation. The routine also advances to the end of the first material.

SUBROUTINE SKREWR (LINSK, LOUT, ISKWRK, RSKWRK, CSKWRK, IFLAG)

Rewrites a new linkfile from the data stored in ISKWRK, RSKWRK and CSKWRK.