driver-float
This is part of the cltools module

Equivalent to driver, but using single precision reals.

The purpose of this tool is just to test what PLUMED does when linked from a single precision code.

The input trajectory is specified using one of the following
--ixyz the trajectory in xyz format
--igro the trajectory in gro format
--ixtc the trajectory in xtc format (xdrfile implementation)
--itrr the trajectory in trr format (xdrfile implementation)
--mf_dcd molfile: the trajectory in dcd format
--mf_crd molfile: the trajectory in crd format
--mf_crdbox molfile: the trajectory in crdbox format
--mf_gro molfile: the trajectory in gro format
--mf_g96 molfile: the trajectory in g96 format
--mf_trr molfile: the trajectory in trr format
--mf_trj molfile: the trajectory in trj format
--mf_xtc molfile: the trajectory in xtc format
--mf_pdb molfile: the trajectory in pdb format
The following must be present
--plumed ( default=plumed.dat ) specify the name of the plumed input file
--timestep ( default=1.0 ) the timestep that was used in the calculation that produced this trajectory in picoseconds
--trajectory-stride ( default=1 ) the frequency with which frames were output to this trajectory during the simulation (0 means that the number of the step is read from the trajectory file, currently working only for xtc/trr files read with –ixtc/–trr)
--multi ( default=0 ) set number of replicas for multi environment (needs MPI)
The following options are available
--help/-h ( default=off ) print this help
--help-debug ( default=off ) print special options that can be used to create regtests
--noatoms ( default=off ) don't read in a trajectory. Just use colvar files as specified in plumed.dat
--parse-only ( default=off ) read the plumed input file and stop
--dump-full-virial

( default=off ) with –dump-forces, it dumps the 9 components of the virial

--length-units units for length, either as a string or a number
--mass-units units for mass in pdb and mc file, either as a string or a number
--charge-units units for charge in pdb and mc file, either as a string or a number
--kt set \(k_B T\), it will not be necessary to specify temperature in input file
--dump-forces dump the forces on a file
--dump-forces-fmt ( default=%f ) the format to use to dump the forces
--pdb provides a pdb with masses and charges
--mc provides a file with masses and charges as produced with DUMPMASSCHARGE
--box comma-separated box dimensions (3 for orthorhombic, 9 for generic)
--natoms provides number of atoms - only used if file format does not contain number of atoms
--initial-step provides a number for the initial step, default is 0
--debug-forces output a file containing the forces due to the bias evaluated using numerical derivatives and using the analytical derivatives implemented in plumed
Examples
plumed driver-float --plumed plumed.dat --ixyz trajectory.xyz

See also examples in driver