ANNEALING | |||||||||||||||||
Specify the annealing coefficient | |||||||||||||||||
This optional keyword expects a real. Default value: 1.0000000000000000E+00 | |||||||||||||||||
PROJ_VELOCITY_VERLET | |||||||||||||||||
PROJ_VELOCITY_VERLET Uses a Projected Velocity Verlet instead of a normal Velocity Verlet. Every time the cosine between velocities and forces is < 0 velocities are zeroed.
| This optional keyword expects a logical | This keyword behaves as a switch T
. Default value: T
| SD_LIKE |
| SD_LIKE | Zeros velocity at each MD step emulating a steepest descent like(SD_LIKE) approach
| This optional keyword expects a logical | This keyword behaves as a switch T
. Default value: F
| |