Match Classical Particle 2 pos x (t=50)
Commits >
Commit 224605379ecf56495eac19edf712806ff1f57d89 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 14-lennard-jones.01-classical-particles-N2.inp
Value | Reference | Precision | Status |
6.855098947027026e+00 | 6.855098947027028e+00 | 1.000000000000000e-10 | PASS |
Command: LINEFIELD(H2/td.general/coordinates, 56, 3)