TABLE OF CONTENTS
ABINIT/m_lattice_harmonic_primitive_potential [ Modules ]
NAME
m_lattice_harmonic_primitive_potential
FUNCTION
This module contains the example lattice primitive potential. It is not the one really used. The purpose of this is to show how to extend multibinit to new degree of freedom Datatypes: lattice_harmonic_primitive_potential_t Subroutines:
COPYRIGHT
Copyright (C) 2001-2024 ABINIT group (hexu) This file is distributed under the terms of the GNU General Public License, see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt . For the initials of contributors, see ~abinit/doc/developers/contributors.txt .
SOURCE
25 #if defined HAVE_CONFIG_H 26 #include "config.h" 27 #endif 28 #include "abi_common.h" 29 30 module m_lattice_harmonic_primitive_potential 31 use, intrinsic :: iso_c_binding 32 !use m_dynamic_array, only: int_array_type, real_array_type, int2d_array_type 33 use defs_basis 34 use m_abicore 35 use m_errors 36 use m_nctk 37 #if defined HAVE_NETCDF 38 use netcdf 39 #endif 40 use m_xmpi 41 use m_mathfuncs, only: eigensh 42 use m_multibinit_dataset, only: multibinit_dtset_type 43 use m_multibinit_cell, only: mbcell_t, mbsupercell_t 44 use m_primitive_potential, only: primitive_potential_t 45 use m_abstract_potential, only: abstract_potential_t 46 use m_dynamic_array, only: int2d_array_type 47 use m_supercell_maker, only: supercell_maker_t 48 use m_spmat_ndcoo, only: ndcoo_mat_t 49 use m_lattice_harmonic_potential, only: lattice_harmonic_potential_t 50 implicit none 51 private