Pass data into PLUMED
SHAPE | ( default=0 ) the shape of the value that is being passed to PLUMED |
UNIT | the unit of the quantity that is being passed to PLUMED through this value. Can be either number, energy, time, length, mass or charge |
FORCE_UNIT | ( default=default ) the units to use for the force |
PERIODIC | if the value being passed to plumed is periodic then you should specify the periodicity of the function. If the value is not periodic you must state this using PERIODIC=NO. Positions are passed with PERIODIC=NO even though special methods are used to deal with pbc |
NUMERICAL_DERIVATIVES | ( default=off ) calculate the derivatives for these quantities numerically |
CONSTANT | ( default=off ) does this quantity not depend on time |
FROM_DOMAINS | ( default=off ) is this quantity passed through the domain decomposition object |
MUTABLE | ( default=off ) can plumed change the value of the pointer that is passed from the MD code |
ROLE | Get the role this value plays in the code can be x/y/z/m/q to signify that this is x, y, z positions of atoms or masses or charges of atoms |