SMCCE Struct Reference

#include <delphi_constants.h>

Public Attributes
delphi_integer	gsize
delphi_real	scale
float	grids_per_ang
int	del_runs
int	n_retry
string	pdbfile
int	pdbformat
delphi_real	indi
delphi_real	exdi
delphi_real	ionrad
delphi_real	prbrad
delphi_real	salt
int	bndcon
delphi_real	center [3]
string	uniqID
vector< delphi_real >	phimap
delphi_real	scale1
SGrid< delphi_real >	oldmid1
delphi_integer	igrid1
delphi_real	ergs
vector< delphi_real >	phiv
char	del_err

Detailed Description

struct used to pass calculated values between delphicpp and mcce

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

• delphi_constants.h