Table 4.3: Information about Species Subroutines
Subroutine |
Description |
---|---|
|
Returns the electronic charges of the species. |
|
Returns the index of an element of a reference character string array which corresponds to a character string; leading and trailing blanks are ignored. |
|
Returns the ion species indices. |
|
Returns the elemental composition of the species. |
|
Returns a set of flags indicating phases of the species |
|
Returns the character strings of species names. |
|
Returns the molecular weights of the species. |