Match M-solvent int. energy @ t=0
Commits >
Commit 2ba62b4e5b3c7dac99914e88831daed234f640f9 >
Run eb_fosscuda-2022a_mpi_omp >
Input 32-tdpcm_methane.02-td_prop_neq.inp
Value | Reference | Precision | Status |
-1.501578001357185e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)