Public Methods |
| AtomInfo () |
| AtomInfo (const Ref< KeyVal > &) |
| AtomInfo (StateIn &) |
| ~AtomInfo () |
void | save_data_state (StateOut &s) |
| Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. More...
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double | vdw_radius (int Z) const |
| These return various measures of the atom's radius.
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double | bragg_radius (int Z) const |
double | atomic_radius (int Z) const |
double | maxprob_radius (int Z) const |
double | ip (int Z) const |
| Returns the atomization potential for atomic number Z.
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double | vdw_radius_scale () const |
| Return the scale factor for the VdW radii.
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double | bragg_radius_scale () const |
| Return the scale factor for the Bragg radii.
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double | atomic_radius_scale () const |
| Return the scale factor for the atomic radii.
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double | maxprob_radius_scale () const |
| Return the scale factor for the maximum probability radii.
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double | rgb (int Z, int color) const |
| These return information about the color of the atom for visualization programs.
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double | red (int Z) const |
double | green (int Z) const |
double | blue (int Z) const |
double | mass (int Z) const |
| This returns the mass of the most abundant isotope.
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Static Public Methods |
const char * | name (int Z) |
| This returns the full name of the element.
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const char * | symbol (int Z) |
| This returns the symbol for the element.
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int | string_to_Z (const char *, int allow_exceptions=1) |
| This converts a name or symbol to the atomic number.
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The information is kept in a file named atominfo.kv in the SC library directory. That information can be overridden by the user.