Match External energy
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run cmake_foss_2022a_full_serial >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-5.378241906000000e+01 | -5.378242078000000e+01 | 3.030000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'External =', 3)