Project ID: plumID:19.075
Source: regtest/pycv/rt-jax2/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=1,4,3 IMPORT=jaxcv FUNCTION=cv1 cv1a:This action is not part of PLUMED and was included by using a LOAD command More detailsANGLECalculate an angle. More detailsATOMS=1,4,3 cv1n:the list of atoms involved in this collective variable (either 3 or 4 atoms)PYTHONCVATOMS=1,4,3 IMPORT=jaxcv FUNCTION=cv1 NUMERICAL_DERIVATIVESThis action is not part of PLUMED and was included by using a LOAD command More detailsRESTRAINTAdds harmonic and/or linear restraints on one or more variables. More detailsAT=0the position of the restraintSLOPE=-1specifies that the restraint is linear and what the values of the force constants on each of the variables areARG=cv1the arguments on which the bias is actingRESTRAINTAdds harmonic and/or linear restraints on one or more variables. More detailsAT=0the position of the restraintSLOPE=+1specifies that the restraint is linear and what the values of the force constants on each of the variables areARG=cv1athe arguments on which the bias is actingDUMPDERIVATIVESDump the derivatives with respect to the input parameters for one or more objects (generally CVs, functions or biases). More detailsARG=cv1the input for this action is the scalar output from one or more other actionsFILE=GRAD_cv1the name of the file on which to output the derivativesFMT=%8.4fthe 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=cv1athe input for this action is the scalar output from one or more other actionsFILE=GRAD_cv1athe name of the file on which to output the derivativesFMT=%8.4fthe 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=cv1nthe input for this action is the scalar output from one or more other actionsFILE=GRAD_cv1nthe name of the file on which to output the derivativesFMT=%8.4fthe format with which the derivatives should be outputPrint 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