Match External energy
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-serial-debug: [intel2023a-serial] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
-8.194568874900000e+02 | -8.194568874900000e+02 | 4.100000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'External =', 3)