PLUMED-NEST

Project ID: plumID:19.075
Source: regtest/pycv/rt-jax3/plumed.dat
Originally used with PLUMED version: 2.5.2-mod
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes

r:  PYTHONCVThis action is not part of PLUMED and was included by using a LOAD command More details ATOMS=1,2,3 IMPORT=curvature FUNCTION=r
ir: PYTHONFUNCTIONThis action is not part of PLUMED and was included by using a LOAD command More details ARG=r IMPORT=curvature FUNCTION=inv  PERIODIC=NO


DUMPDERIVATIVESDump the derivatives with respect to the input parameters for scalar values (generally CVs, functions or biases). More details ARGthe labels of the values whose derivatives should be output=r  FILEthe name of the file on which to output the derivatives=GRADIENT_r  FMT the format with which the derivatives should be output=%8.4f
# DUMPDERIVATIVES ARG=ir FILE=GRADIENT_ir FMT=%8.4f

The DUMPDERIVATIVES action with label  calculates somethingPRINTPrint quantities to a file. More details FILEthe name of the file on which to output these quantities=COLVAR ARGthe labels of the values that you would like to print to the file=* FMTthe format that should be used to output real numbers=%8.4f