parsing of .restart files does not work properly
Some sections in the restart file i.e. &VELOCITY 4.7881176886552909E-05 3.8830873531258781E-05 3.5516214911924149E-04 -1.7655812050904643E-04 -1.1969433249073194E-05 2.3291709597194642E-04 9.9546839712300560E-06 -6.7196397419956914E-05 6.8007594046185806E-05 1.1744969480889136E-06 9.3343337369569500E-05 1.5693104928240497E-04 &POTENTIAL 2 5 0.4100000000000000E+00 1 -0.6392081810000000E+01 2 0.3395386400000000E+00 2 0.1521898983000000E+02 -0.4934523210000000E+01 0.6370442080000000E+01 0.3784741600000000E+00 1 0.4338775270000000E+01 # Potential name: GTH-PBE-Q7 for symbol: CL # Potential read from the potential filename: ./GTH_POTENTIALS &END POTENTIAL
cannot be parsed correctly. possible issue the first letter / symbol of each line is used as key
"basis_set": "DZVP-MOLOPT-SR-GTH",
"potential": [
"GTH-PBE-q7",
{
"2": [
5,
null
],
"0": [
[
0.41,
1,
-6.39208181
],
[
0.33953864,
2,
15.21898983,
-4.93452321
],
6.37044208,
[
0.37847416,
1,
4.33877527
]
]
}
],
"_": "Cl"
}
],
"to