atomes 1.1.14
atomes: an atomic scale modeling tool box
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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) |
Lattice properties.
Definition in file lattice.F90.
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.
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.
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.
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.
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.