Match M-solvent int. energy @ t=0
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] >
Input 32-tdpcm_methane.02-td_prop_neq.inp
Value | Reference | Precision | Status |
-1.501569625161315e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)