Project ID: plumID:19.075
Source: regtest/pycv/rt-multi-2-jax/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
cv1:PYTHONCVATOMS=1,3,4 IMPORT=distcv FUNCTION=cv COMPONENTS=d12,d13This action is not part of PLUMED and was included by using a LOAD command More details
cv12a:DISTANCECalculate the distance between a pair of atoms. More detailsATOMS=1,3 cv13a:the pair of atom that we are calculating the distance betweenDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=1,4the pair of atom that we are calculating the distance betweenDUMPDERIVATIVESDump the derivatives with respect to the input parameters for one or more objects (generally CVs, functions or biases). More detailsARG=cv1.py-d12the input for this action is the scalar output from one or more other actionsFILE=GRAD_cv1d12the name of the file on which to output the derivativesFMT=%.4fthe format with which the derivatives should be outputDUMPDERIVATIVESDump the derivatives with respect to the input parameters for one or more objects (generally CVs, functions or biases). More detailsARG=cv1.py-d13the input for this action is the scalar output from one or more other actionsFILE=GRAD_cv1d13the name of the file on which to output the derivativesFMT=%.4fthe format with which the derivatives should be outputDUMPDERIVATIVESDump the derivatives with respect to the input parameters for one or more objects (generally CVs, functions or biases). More detailsARG=cv12athe input for this action is the scalar output from one or more other actionsFILE=GRAD_cv12athe name of the file on which to output the derivativesFMT=%.4fthe format with which the derivatives should be outputDUMPDERIVATIVESDump the derivatives with respect to the input parameters for one or more objects (generally CVs, functions or biases). More detailsARG=cv13athe input for this action is the scalar output from one or more other actionsFILE=GRAD_cv13athe name of the file on which to output the derivativesFMT=%.4fthe format with which the derivatives should be output
# RESTRAINT AT=0 SLOPE=-1 ARG=cv1Print quantities to a file. More detailsFILE=colvar.outthe name of the file on which to output these quantitiesARGthe input for this action is the scalar output from one or more other actions