Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
M-solvent int. energy @ t=0 | -3.215432382877428e+00 | -3.215432382877802e+00 | 4.120000000000000e-13 | 3.743672039036028e-13 | PASS |
M-solvent int. energy @ t=5*dt | -3.215432384510836e+00 | -3.215432384511066e+00 | 2.800000000000000e-13 | 2.295941214924824e-13 | PASS |