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Data Fields
tagFixHOrTautCanonNumbering Struct Reference

#include <ichicant.h>

+ Collaboration diagram for tagFixHOrTautCanonNumbering:

Data Fields

int num_at_tg
 
int num_atoms
 
int nCanonFlags
 
NEIGH_LIST * NeighList
 
AT_RANK * LinearCt
 
int nLenLinearCtAtOnly
 
int nLenLinearCt
 
int nMaxLenLinearCt
 
Partition PartitionCt
 
AT_RANK * nSymmRankCt
 
NUM_H * nNumHOrig
 
NUM_H * nNumH
 
int nLenNumH
 
NUM_H * nNumHOrigFixH
 
NUM_H * nNumHFixH
 
int nLenNumHFixH
 
Partition PartitionCtIso
 
AT_RANK * nSymmRankCtIso
 
AT_ISO_SORT_KEY * iso_sort_keys
 
AT_ISO_SORT_KEY * iso_sort_keysOrig
 
int len_iso_sort_keys
 
S_CHAR * iso_exchg_atnos
 
S_CHAR * iso_exchg_atnosOrig
 

Field Documentation

◆ iso_exchg_atnos

S_CHAR* tagFixHOrTautCanonNumbering::iso_exchg_atnos

◆ iso_exchg_atnosOrig

S_CHAR* tagFixHOrTautCanonNumbering::iso_exchg_atnosOrig

◆ iso_sort_keys

AT_ISO_SORT_KEY* tagFixHOrTautCanonNumbering::iso_sort_keys

◆ iso_sort_keysOrig

AT_ISO_SORT_KEY* tagFixHOrTautCanonNumbering::iso_sort_keysOrig

◆ len_iso_sort_keys

int tagFixHOrTautCanonNumbering::len_iso_sort_keys

◆ LinearCt

AT_RANK* tagFixHOrTautCanonNumbering::LinearCt

◆ nCanonFlags

int tagFixHOrTautCanonNumbering::nCanonFlags

◆ NeighList

NEIGH_LIST* tagFixHOrTautCanonNumbering::NeighList

◆ nLenLinearCt

int tagFixHOrTautCanonNumbering::nLenLinearCt

◆ nLenLinearCtAtOnly

int tagFixHOrTautCanonNumbering::nLenLinearCtAtOnly

◆ nLenNumH

int tagFixHOrTautCanonNumbering::nLenNumH

◆ nLenNumHFixH

int tagFixHOrTautCanonNumbering::nLenNumHFixH

◆ nMaxLenLinearCt

int tagFixHOrTautCanonNumbering::nMaxLenLinearCt

◆ nNumH

NUM_H* tagFixHOrTautCanonNumbering::nNumH

◆ nNumHFixH

NUM_H* tagFixHOrTautCanonNumbering::nNumHFixH

◆ nNumHOrig

NUM_H* tagFixHOrTautCanonNumbering::nNumHOrig

◆ nNumHOrigFixH

NUM_H* tagFixHOrTautCanonNumbering::nNumHOrigFixH

◆ nSymmRankCt

AT_RANK* tagFixHOrTautCanonNumbering::nSymmRankCt

◆ nSymmRankCtIso

AT_RANK* tagFixHOrTautCanonNumbering::nSymmRankCtIso

◆ num_at_tg

int tagFixHOrTautCanonNumbering::num_at_tg

◆ num_atoms

int tagFixHOrTautCanonNumbering::num_atoms

◆ PartitionCt

Partition tagFixHOrTautCanonNumbering::PartitionCt

◆ PartitionCtIso

Partition tagFixHOrTautCanonNumbering::PartitionCtIso
The documentation for this struct was generated from the following file: