17 #ifndef ERKALE_OPTCOMP
18 #define ERKALE_OPTCOMP
21 #define MINTAU pow(10.0,-5.5)
23 #include "../global.h"
28 #include <gsl/gsl_vector.h>
53 arma::mat self_overlap(
const arma::vec & z,
int am);
56 arma::vec completeness_profile(
const gsl_vector * x,
void * params);
59 double compl_mog(
const gsl_vector * x,
void * params);
62 void compl_mog_df(
const gsl_vector * x,
void * params, gsl_vector * g);
65 void compl_mog_fdf(
const gsl_vector * x,
void * params,
double * f, gsl_vector * df);
76 arma::vec optimize_completeness(
int am,
double min,
double max,
int Nf,
int n=1,
bool verbose=
true,
double *mog=NULL,
int nfull=4);
89 arma::vec optimize_completeness_cg(
int am,
double min,
double max,
int Nf,
int n=1,
bool verbose=
true,
double *mog=NULL,
int nfull=4);
103 arma::vec optimize_completeness_simplex(
int am,
double min,
double max,
int Nf,
int n=1,
bool verbose=
true,
double *mog=NULL,
int nfull=4);
106 double maxwidth(
int am,
double tol,
int nexp,
int n=1,
int nfull=4);
109 arma::vec maxwidth_exps(
int am,
double tol,
int nexp,
double & width,
int n=1,
int nfull=4);
112 arma::vec move_exps(
const arma::vec & exps,
double start);
115 arma::vec get_exponents(
int am,
double start,
double end,
double tol,
int n=1,
bool verbose=
false,
int nfull=4);
Parameters for completeness scan.
Definition: optimize_completeness.h:32
int am
Angular momentum of shell to optimize.
Definition: optimize_completeness.h:34
size_t neven
Amount of even-tempered exponents near the center.
Definition: optimize_completeness.h:44
bool odd
Add in exponent at the center?
Definition: optimize_completeness.h:42
int n
Which moment to optimize.
Definition: optimize_completeness.h:36
size_t nfull
Amount of fully optimized exponents at the edges.
Definition: optimize_completeness.h:46
arma::vec scanexp
Scanning exponents to optimize against.
Definition: optimize_completeness.h:39