4.4. Information About Species

Table 4.3: Information about Species Subroutines

Subroutine

Description

SUBROUTINE CKCHRG (ICKWRK, RCKWRK, KCHARG)

Returns the electronic charges of the species.

SUBROUTINE CKCOMP (IST, IRAY, II, I)*

Returns the index of an element of a reference character string array which corresponds to a character string; leading and trailing blanks are ignored.

SUBROUTINE CKION (ICKWRK, KION)

Returns the ion species indices.

SUBROUTINE CKNCF (MDIM, ICKWRK, RCKWRK, NCF)

Returns the elemental composition of the species.

SUBROUTINE CKPHAZ (ICKWRK, RCKWRK, KPHASE)

Returns a set of flags indicating phases of the species

SUBROUTINE CKSYMS (CCKWRK, LOUT, KNAME, KERR)*

Returns the character strings of species names.

SUBROUTINE CKWT (ICKWRK, RCKWRK, WT)

Returns the molecular weights of the species.