atomes 1.1.16
atomes: an atomic scale modeling tool box
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spherical.F90 File Reference

Spherical harmonics analysis. More...

Go to the source code of this file.

Functions/Subroutines

integer(kind=c_int) function sphericals (maxl, spc, geo, idc, coosph)
 
subroutine cart2spher (xc, yc, zc, rs, ts, ps)
 
double precision function plegendre (l, m, x)
 
double precision function plgndr (l, m, x)
 

Detailed Description

Spherical harmonics analysis.

Author
Sébastien Le Roux sebas.nosp@m.tien.nosp@m..lero.nosp@m.ux@i.nosp@m.pcms..nosp@m.unis.nosp@m.tra.f.nosp@m.r

Definition in file spherical.F90.

Function/Subroutine Documentation

◆ cart2spher()

subroutine cart2spher ( double precision, intent(in) xc,
double precision, intent(in) yc,
double precision, intent(in) zc,
double precision, intent(out) rs,
double precision, intent(out) ts,
double precision, intent(out) ps )

Definition at line 290 of file spherical.F90.

◆ plegendre()

double precision function plegendre ( integer, intent(in) l,
integer, intent(in) m,
double precision, intent(in) x )

Definition at line 307 of file spherical.F90.

◆ plgndr()

double precision function plgndr ( integer, intent(in) l,
integer, intent(in) m,
double precision, intent(in) x )

Definition at line 354 of file spherical.F90.

◆ sphericals()

integer (kind=c_int) function sphericals ( integer (kind=c_int), intent(in) maxl,
integer (kind=c_int), intent(in) spc,
integer (kind=c_int), intent(in) geo,
integer (kind=c_int), intent(in) idc,
integer (kind=c_int), dimension(nsp), intent(in) coosph )

Definition at line 23 of file spherical.F90.