Tools common both to PME and SPME. More...
Functions | |
| subroutine, public | set_list (part, npart, center, p1, rs, ipart, core_center) |
| LOGICAL, public | in_slice (pos, lb, ub) |
| subroutine, public | get_center (part, box, center, npts, n) |
Variables | |
| CHARACTER(len=*), parameter, private | moduleN = 'pme_tools' |
Detailed Description
Tools common both to PME and SPME.
- History
- JGH (03-May-2001) : first correctly working version teo (Feb-2007) : Merging common routines to spme and pme
Function Documentation
| subroutine,public pme_tools::get_center | ( | TYPE(particle_type),dimension(:),intent(in) | part, |
| TYPE(cell_type),pointer | box, | ||
| INTEGER,dimension(:, :),intent(out) | center, | ||
| INTEGER,dimension(:),intent(in) | npts, | ||
| INTEGER,intent(in) | n | ||
| ) |
Definition at line 108 of file pme_tools.f90.
References kinds::dp, and REAL().
Referenced by qs_dftb_coulomb::dftb_spme_evaluate(), pme::pme_evaluate(), and spme::spme_evaluate().
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| LOGICAL,public pme_tools::in_slice | ( | INTEGER,dimension(3),intent(in) | pos, |
| INTEGER,dimension(3),intent(in) | lb, | ||
| INTEGER,dimension(3),intent(in) | ub | ||
| ) |
Definition at line 94 of file pme_tools.f90.
Referenced by set_list().
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| subroutine,public pme_tools::set_list | ( | TYPE(particle_type),dimension(:),intent(in) | part, |
| INTEGER,intent(in) | npart, | ||
| INTEGER,dimension(:, :),intent(in) | center, | ||
| INTEGER,intent(out) | p1, | ||
| TYPE(realspace_grid_type),pointer | rs, | ||
| INTEGER,intent(inout) | ipart, | ||
| INTEGER,dimension(:, :),optional,pointer | core_center | ||
| ) |
Definition at line 35 of file pme_tools.f90.
References in_slice().
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Variable Documentation
| CHARACTER(len=*),parameter,private pme_tools::moduleN = 'pme_tools' |
Definition at line 30 of file pme_tools.f90.
