DFset.Write(ofile, Split=False)

Write the set of RDFs/potentials to the file ofile and optionally split it into a main header file and an additional set of included files.

Parameters:

ofilename (str)

: File to write the set

Split

: Default False. If True, all functions will be written to a separate include-files. If Split=[True, False, True,....] only those functions DFs[i] where Split[i]=True will be written to include-files, and other will be kept in the main file

Example:

df_set = MT.ReadPot('DMPC.pot', Ucut=1e5)
df_set.Write('DMPC.split.pot', Split=True)
df_set.Write('DMPC.split2.pot', 
                    Split=[i>10 for i in range(len(df_set.DFs))])