Match Classical Particle 2 pos x (t=50)
Commits >
Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 >
Run foss-mpi-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)