Primitives with zero exponent

[felixplasser]

Hi, one thing that is kind of strange is that molpy prints out primitives with zero exponent in the Molden file. I guess this does not matter for ANO basis sets. But for more traditional basis sets this produces lots of zeros. For example if I have a 6-31G basis, the Molden file looks like this:

  s  10
  3.047524900e+03   1.834700000e-03
  4.573695100e+02   1.403730000e-02
  1.039486900e+02   6.884260000e-02
  2.921015500e+01   2.321844000e-01
  9.286663000e+00   4.679413000e-01
  7.868272400e+00   0.000000000e+00
  3.163927000e+00   3.623120000e-01
  1.881288500e+00   0.000000000e+00
  5.442493000e-01   0.000000000e+00
  1.687144000e-01   0.000000000e+00
   s  10
  3.047524900e+03   0.000000000e+00
  4.573695100e+02   0.000000000e+00
  1.039486900e+02   0.000000000e+00
  2.921015500e+01   0.000000000e+00
  9.286663000e+00   0.000000000e+00
  7.868272400e+00  -1.193324000e-01
  3.163927000e+00   0.000000000e+00
  1.881288500e+00  -1.608542000e-01
  5.442493000e-01   1.143456400e+00
  1.687144000e-01   0.000000000e+00
   s  10
  3.047524900e+03   0.000000000e+00
  4.573695100e+02   0.000000000e+00
  1.039486900e+02   0.000000000e+00
  2.921015500e+01   0.000000000e+00
  9.286663000e+00   0.000000000e+00
  7.868272400e+00   0.000000000e+00
  3.163927000e+00   0.000000000e+00
  1.881288500e+00   0.000000000e+00
  5.442493000e-01   0.000000000e+00
  1.687144000e-01   1.000000000e+00

[steabert]

Indeed, I do not keep track of whether a basis set is ANO or not, but I guess a filter could be applied to remove exponents that are 0.