m_artn_tools

namespace m_artn_tools

Contains all usefull routine to do everything.

Author

Matic Poberznik, Miha Gunde, Nicolas Salles, Antoine Jay

Variables

character(*), parameter c_nl   = new_line('a')

character(*), parameter c_tab   =        achar(32)//achar(32)//achar(32)//       achar(32)//achar(32)//achar(32)

interface c_free

Public Functions

subroutine c_free(ptr)

interface c_malloc

Todo:

copy/paste the doc

Todo:

Copy/paste the doc

Public Functions

type(c_ptr) function c_malloc (size)

interface center

interface compute_delr_vec

Param nat:

[in] number of atoms

Param pos:

[in] actual position of atoms in 3 dimension

Param old_pos:

[in] reference atomic position

Param lat:

[in] box parameters

Param delr:

[out] displacement of each atom

interface ddot

Public Functions

pure real(ddp) function ddot (n, dx, incx, dy, incy)

interface diag

interface dnrm2

Public Functions

pure real(ddp) function dnrm2 (n, x, incx)

interface dsum

interface invmat3x3

interface is_numeric

interface make_filename

interface parser

interface pbc

interface read_line

interface sum_force

interface to_lower