Copernicus  2.0
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cpc.lib.plumed.mdrun Namespace Reference

Classes

class  PLUMEDError
 

Functions

def checkErr
 
def extractData
 
def mdrun
 
def grompp_mdrun_multi
 
def mdrun_multi
 

Variables

tuple log = logging.getLogger('cpc.lib.plumed')
 

Function Documentation

def cpc.lib.plumed.mdrun.checkErr (   stde,
  rsrc,
  tpr,
  persDir 
)
Check whether an error condition is recoverable. 

   Returns True if there is an issue, False if the error is recoverable
def cpc.lib.plumed.mdrun.extractData (   confout,
  outDir,
  persDir,
  fo 
)
Concatenate all output data from the partial runs into the end results
def cpc.lib.plumed.mdrun.grompp_mdrun_multi (   inp)
def cpc.lib.plumed.mdrun.mdrun (   inp)
def cpc.lib.plumed.mdrun.mdrun_multi (   inp)

Variable Documentation

tuple cpc.lib.plumed.mdrun.log = logging.getLogger('cpc.lib.plumed')