Match Kinetic energy
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
Run cmake_foss_2022a_full_serial >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
9.516823710000001e+00 | 9.516823850000000e+00 | 4.760000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Kinetic =', 3)