Duo keywordsΒΆ

Note

The position of the keywords is not important. The input is not key-sensitive.

  • GNS: Nuclear statistical weight gns 2.0
  • Temperature: Temperature (K):
Temperature  3000.0

Aliases: Temp, Temperature

  • Temperature can be split into rotational temperature and vibrational temperature, which in input is given as
  • grid is to define a multi-grid with different resolutions in different sub-grids as follows

Example

grid
  Range   0    100   Npoints 10000 offset 25.
  Range 100   1000  Npoints 1000
  Range 1000 10000  Npoints 100
end