Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
M-solvent int. energy @ t=0 | -3.215406787815822e+00 | -3.215406787815954e+00 | 2.790000000000000e-13 | 1.327826737451687e-13 | PASS |
M-solvent int. energy @ t=5*dt | -3.215406787112734e+00 | -3.215406787112854e+00 | 2.000000000000000e+00 | 1.199040866595169e-13 | PASS |