atomes 1.1.17
atomes: an atomic scale modeling tool box
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utils.F90 File Reference

Global function declarations. More...

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Functions/Subroutines

subroutine charint (word, num)
 
subroutine creat_ring (ring_init, elem_cr)
 
subroutine do_ring (the_ring, elem_do)
 
subroutine calcrij (at1, at2, step_1, step_2, sid)
 
double precision function calcdij (r12, at1, at2, step_1, step_2, sid)
 
double precision function sacos (ang)
 
double precision function angijk (atg1, atg2, atg3, astep)
 
double precision function diedre (dg1, dg2, dg3, dg4, dstep)
 
subroutine ect_type_rings (moyenne, tableau, longte, lrepres, ec_type)
 
double precision function ran3 (idnum)
 
real(kind=c_double) function random3 (seed)
 
subroutine somme (tabs, longts, somtab)
 
subroutine moyenne (tableau, longtm, moytab)
 
subroutine ect_type (moyenne, tableau, longte, ec_type)
 
subroutine tri (tab, dimtab)
 
logical function smooth (tabtoliss, gtoliss, dimtoliss, sigmaliss)
 
subroutine sort3 (arr, ndum)
 
subroutine indexx_i (arr, index, n)
 
subroutine sort3_dp (arr, ndum)
 
subroutine indexx_dp (arr, index, n)
 

Detailed Description

Global function declarations.

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 utils.F90.

Function/Subroutine Documentation

◆ angijk()

double precision function angijk ( integer, intent(in) atg1,
integer, intent(in) atg2,
integer, intent(in) atg3,
integer, intent(in) astep )

Definition at line 284 of file utils.F90.

◆ calcdij()

double precision function calcdij ( double precision, dimension(3), intent(inout) r12,
integer, intent(in) at1,
integer, intent(in) at2,
integer, intent(in) step_1,
integer, intent(in) step_2,
integer, intent(in) sid )

Definition at line 184 of file utils.F90.

◆ calcrij()

subroutine calcrij ( integer, intent(in) at1,
integer, intent(in) at2,
integer, intent(in) step_1,
integer, intent(in) step_2,
integer, intent(in) sid )

Definition at line 114 of file utils.F90.

◆ charint()

subroutine charint ( character (len=15), intent(inout) word,
integer, intent(in) num )

Definition at line 31 of file utils.F90.

◆ creat_ring()

subroutine creat_ring ( type (ring), intent(inout) ring_init,
integer, intent(in) elem_cr )

Definition at line 60 of file utils.F90.

◆ diedre()

double precision function diedre ( integer, intent(in) dg1,
integer, intent(in) dg2,
integer, intent(in) dg3,
integer, intent(in) dg4,
integer, intent(in) dstep )

Definition at line 330 of file utils.F90.

◆ do_ring()

subroutine do_ring ( type (ring), intent(inout), pointer the_ring,
integer, intent(in) elem_do )

Definition at line 76 of file utils.F90.

◆ ect_type()

subroutine ect_type ( double precision, intent(in) moyenne,
double precision, dimension(longte), intent(in) tableau,
integer, intent(in) longte,
double precision, intent(inout) ec_type )

Definition at line 551 of file utils.F90.

◆ ect_type_rings()

subroutine ect_type_rings ( double precision, intent(in) moyenne,
double precision, dimension(longte), intent(in) tableau,
integer, intent(in) longte,
integer, intent(in) lrepres,
double precision, intent(inout) ec_type )

Definition at line 393 of file utils.F90.

◆ indexx_dp()

subroutine indexx_dp ( double precision, dimension(n), intent(in) arr,
integer, dimension(n), intent(inout) index,
integer, intent(in) n )

Definition at line 829 of file utils.F90.

◆ indexx_i()

subroutine indexx_i ( integer, dimension(n), intent(in) arr,
integer, dimension(n), intent(inout) index,
integer, intent(in) n )

Definition at line 693 of file utils.F90.

◆ moyenne()

subroutine moyenne ( double precision, dimension(longtm), intent(in) tableau,
integer, intent(in) longtm,
double precision, intent(inout) moytab )

Definition at line 525 of file utils.F90.

◆ ran3()

double precision function ran3 ( integer, intent(in) idnum)

Definition at line 420 of file utils.F90.

◆ random3()

real (kind=c_double) function random3 ( integer (kind=c_int), intent(in) seed)

Definition at line 479 of file utils.F90.

◆ sacos()

double precision function sacos ( double precision, intent(in) ang)

Definition at line 260 of file utils.F90.

◆ smooth()

logical function smooth ( double precision, dimension(dimtoliss), intent(inout) tabtoliss,
double precision, dimension(dimtoliss), intent(in) gtoliss,
integer, intent(in) dimtoliss,
double precision, intent(in) sigmaliss )

Definition at line 611 of file utils.F90.

◆ somme()

subroutine somme ( double precision, dimension(longts), intent(in) tabs,
integer, intent(in) longts,
double precision, intent(inout) somtab )

Definition at line 501 of file utils.F90.

◆ sort3()

subroutine sort3 ( integer, dimension(ndum), intent(inout) arr,
integer, intent(in) ndum )

Definition at line 680 of file utils.F90.

◆ sort3_dp()

subroutine sort3_dp ( double precision, dimension(ndum), intent(inout) arr,
integer, intent(in) ndum )

Definition at line 816 of file utils.F90.

◆ tri()

subroutine tri ( integer, dimension(dimtab), intent(inout) tab,
integer, intent(in) dimtab )

Definition at line 580 of file utils.F90.