Match M-solvent int. energy @ t=0
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run intel_autotools: [intel2023a-serial] >
Input 32-tdpcm_methane.02-td_prop_neq.inp
Value | Reference | Precision | Status |
-1.501569625163732e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)