Match molecule-solvent int. energy
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
Run intel_autotools: [intel2023a-serial] >
Input 20-pcm-local-field-absorption.01-gs.inp
Value | Reference | Precision | Status |
-5.000000000000000e-08 | -4.000000000000000e-08 | 2.000000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)