ForceBalance API  1.3
Automated optimization of force fields and empirical potentials
List of all members | Public Member Functions | Public Attributes
src.tinkerio.Moments_TINKER Class Reference

Subclass of Target for multipole moment matching using TINKER. More...

Inheritance diagram for src.tinkerio.Moments_TINKER:
[legend]
Collaboration diagram for src.tinkerio.Moments_TINKER:
[legend]

Public Member Functions

def __init__ (self, options, tgt_opts, forcefield)
 

Public Attributes

 engine_
 Default file names for coordinates and key file. More...
 

Detailed Description

Subclass of Target for multipole moment matching using TINKER.

Definition at line 1156 of file tinkerio.py.

Constructor & Destructor Documentation

◆ __init__()

def src.tinkerio.Moments_TINKER.__init__ (   self,
  options,
  tgt_opts,
  forcefield 
)

Definition at line 1157 of file tinkerio.py.

Here is the call graph for this function:

Member Data Documentation

◆ engine_

src.tinkerio.Moments_TINKER.engine_

Default file names for coordinates and key file.

Definition at line 1161 of file tinkerio.py.


The documentation for this class was generated from the following file: