ForceBalance API  1.3
Automated optimization of force fields and empirical potentials
List of all members | Public Member Functions | Public Attributes
src.psi4io.Grid_Reader Class Reference

Finite state machine for parsing DVR grid files. More...

Inheritance diagram for src.psi4io.Grid_Reader:
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Collaboration diagram for src.psi4io.Grid_Reader:
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Public Member Functions

def __init__ (self, fnm=None)
 
def build_pid (self, pfld)
 
def feed (self, line, linindep=False)
 Feed in a line. More...
 

Public Attributes

 element
 
 point
 
 radii
 
 isdata
 

Detailed Description

Finite state machine for parsing DVR grid files.

Definition at line 254 of file psi4io.py.

Constructor & Destructor Documentation

◆ __init__()

def src.psi4io.Grid_Reader.__init__ (   self,
  fnm = None 
)

Definition at line 256 of file psi4io.py.

Member Function Documentation

◆ build_pid()

def src.psi4io.Grid_Reader.build_pid (   self,
  pfld 
)

Definition at line 262 of file psi4io.py.

◆ feed()

def src.psi4io.Grid_Reader.feed (   self,
  line,
  linindep = False 
)

Feed in a line.

Parameters
[in]lineThe line of data

Definition at line 277 of file psi4io.py.

Member Data Documentation

◆ element

src.psi4io.Grid_Reader.element

Definition at line 258 of file psi4io.py.

◆ isdata

src.psi4io.Grid_Reader.isdata

Definition at line 288 of file psi4io.py.

◆ point

src.psi4io.Grid_Reader.point

Definition at line 259 of file psi4io.py.

◆ radii

src.psi4io.Grid_Reader.radii

Definition at line 260 of file psi4io.py.


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