atomes 1.1.14
atomes: an atomic scale modeling tool box
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lattice.F90 File Reference

Lattice properties. More...

Go to the source code of this file.

Functions/Subroutines

integer(kind=c_int) function add_cells (np, nps, sizec)
 
integer(kind=c_int) function shift_box_center (np, nps, cshift, ref)
 
double precision function f_dot_product (a, b)
 
subroutine f_cross_product (a, b, c)
 
integer(kind=c_int) function lattice (totl, lid, vectors, vmod, angles, lat, cfrac, apbc)
 

Detailed Description

Lattice properties.

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 lattice.F90.

Function/Subroutine Documentation

◆ add_cells()

integer (kind=c_int) function add_cells ( integer (kind=c_int), intent(in) np,
integer (kind=c_int), intent(in) nps,
integer (kind=c_int), dimension(3), intent(in) sizec )

Definition at line 21 of file lattice.F90.

◆ f_cross_product()

subroutine f_cross_product ( double precision, dimension(3), intent(in) a,
double precision, dimension(3), intent(in) b,
double precision, dimension(3), intent(inout) c )

Definition at line 148 of file lattice.F90.

◆ f_dot_product()

double precision function f_dot_product ( double precision, dimension(3), intent(in) a,
double precision, dimension(3), intent(in) b )

Definition at line 136 of file lattice.F90.

◆ lattice()

integer (kind=c_int) function lattice ( integer (kind=c_int), intent(in) totl,
integer (kind=c_int), intent(in) lid,
real (kind=c_double), dimension(3,3), intent(in) vectors,
real (kind=c_double), dimension(3), intent(in) vmod,
real (kind=c_double), dimension(3), intent(inout) angles,
integer (kind=c_int), intent(in) lat,
integer (kind=c_int), intent(in) cfrac,
integer (kind=c_int), intent(in) apbc )

Definition at line 161 of file lattice.F90.

◆ shift_box_center()

integer (kind=c_int) function shift_box_center ( integer (kind=c_int), intent(in) np,
integer (kind=c_int), intent(in) nps,
real (kind=c_double), dimension(3), intent(in) cshift,
integer (kind=c_int), intent(in) ref )

Definition at line 90 of file lattice.F90.