convertUnit - fmauger1/QMol-grid GitHub Wiki

convertUnit

Miscellaneous unit conversions

Syntax

convertUnit is defined as an abstract class with unit conversion defined by static methods with the following generic syntax

cVal = convertUnit.old2new(val)

with "old" and "new" the units being converted.

Description

cVal = convertUnit.old2new(val) converts val between old and new systems of units and returns the result in cVal

  • If val is a vector, matrix or multidimensional array, the conversion is performed elementwise and cVal has the same shape as val.
  • All inverse unit conversions are supported, i.e., if aaa2bbb is a member method, so does bbb2aaa.

Conversion from atomic units

  • au2ev to electron volts: 1 [a.u.] = 27.2116 [eV]
  • au2meter to meters: 1 [a.u.] = 5.2917721067e-11 [m]
  • au2second to seconds: 1 [a.u] = 2.419e-17 [s]

Conversion from electron volts

  • ev2au to atomic units: 1 [eV] = 1/27.2116 [a.u.]

Conversion from meters

  • meter2au to atomic units: 1 [m] = 1/5.2917721067e-11 [a.u.]

Conversion from seconds

  • second2au to atomic units: 1 [s] = 1/2.419e-17 [a.u]

See also

convertLaser