votca 2024-dev
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Public Member Functions | Public Attributes | List of all members
PotentialInfo Struct Reference

#include <csg_reupdate.h>

Collaboration diagram for PotentialInfo:
Collaboration graph
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Public Member Functions

 PotentialInfo (votca::Index index, bool bonded_, votca::Index vec_pos_, std::string &param_in_ext_, Property *options, bool gentable=false)
 

Public Attributes

votca::Index potentialIndex
 
bool bonded
 
PotentialFunctionucg
 
votca::Index vec_pos
 
std::pair< votca::Index, votca::IndexbeadTypes
 
std::string potentialName
 
std::string potentialFunction
 
std::string type1
 
std::string type2
 
double rmin
 
double rcut
 
Propertyoptions_
 

Detailed Description

Definition at line 40 of file csg_reupdate.h.

Constructor & Destructor Documentation

◆ PotentialInfo()

PotentialInfo::PotentialInfo ( votca::Index  index,
bool  bonded_,
votca::Index  vec_pos_,
std::string &  param_in_ext_,
Property options,
bool  gentable = false 
)

Definition at line 642 of file csg_reupdate.cc.

Member Data Documentation

◆ beadTypes

std::pair<votca::Index, votca::Index> PotentialInfo::beadTypes

Definition at line 50 of file csg_reupdate.h.

◆ bonded

bool PotentialInfo::bonded

Definition at line 47 of file csg_reupdate.h.

◆ options_

Property* PotentialInfo::options_

Definition at line 58 of file csg_reupdate.h.

◆ potentialFunction

std::string PotentialInfo::potentialFunction

Definition at line 53 of file csg_reupdate.h.

◆ potentialIndex

votca::Index PotentialInfo::potentialIndex

Definition at line 46 of file csg_reupdate.h.

◆ potentialName

std::string PotentialInfo::potentialName

Definition at line 52 of file csg_reupdate.h.

◆ rcut

double PotentialInfo::rcut

Definition at line 56 of file csg_reupdate.h.

◆ rmin

double PotentialInfo::rmin

Definition at line 56 of file csg_reupdate.h.

◆ type1

std::string PotentialInfo::type1

Definition at line 54 of file csg_reupdate.h.

◆ type2

std::string PotentialInfo::type2

Definition at line 54 of file csg_reupdate.h.

◆ ucg

PotentialFunction* PotentialInfo::ucg

Definition at line 48 of file csg_reupdate.h.

◆ vec_pos

votca::Index PotentialInfo::vec_pos

Definition at line 49 of file csg_reupdate.h.


The documentation for this struct was generated from the following files: