Package schrodinger :: Package application :: Package mcpro :: Module writeinputs
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Module writeinputs

Classes [hide private]
  WriteInputs
Variables [hide private]
  __doc__ = ...
  mcpro_panel = None
hash(x)
  param_in_parfile = {'svmod1': 1, 'soluorg': 1, 'solvorg': 1, '...
Variables Details [hide private]

__doc__

Value:
"""
Classes for writing input.

Copyright Schrodinger, LLC. All rights reserved.

"""

param_in_parfile

Value:
{'svmod1': 1, 'soluorg': 1, 'solvorg': 1, 'capat': 1, 'caprad': 1, 'ca\
pfk': 1, 'optimizer': 1, 'tolerance': 1, 'newzmat': 1, 'nmol': 1, 'ibo\
x': 1, 'bcut': 1, 'ncent1': 1, 'ncent2': 1, 'nrot1': 1, 'nrot2': 1, 'n\
oback': 1, 'norrup': 1, 'ifixrr': 1, 'irecent': 1, 'indsol': 1, 'izlon\
g': 1, 'maxovl': 1, 'noxx': 1, 'noss': 1, 'nobndv': 1, 'noangv': 1, 'n\
oebd': 1, 'nrdf': 1, 'ibdpdb': 1, 'iddd': 1, 'stren': 1, 'rdlmin': 1, \
'rdlinc': 1, 'eprmin': 1, 'eprinc': 1, 'edmin': 1, 'edinc': 1, 'essmin\
': 1, 'essinc': 1, 'ebsmin': 1, 'ebsinc': 1, 'nvchg': 1, 'nschg': 1, '\
...