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ABINIT/nullify_wvl_data [ Functions ]

[ Top ] [ Functions ]

NAME

  nullify_wvl_data

FUNCTION

  Nullify all wvl pointers

COPYRIGHT

  Copyright (C) 2013-2018 ABINIT group (T. Rangel)
  This file is distributed under the terms of the
  GNU General Public License, see ~abinit/COPYING
  or http://www.gnu.org/copyleft/gpl.txt .

INPUTS

  argin(sizein)=description

OUTPUT

  argout(sizeout)=description

SIDE EFFECTS

NOTES

PARENTS

      driver

CHILDREN

      nullify_atoms_data,nullify_dft_local_fields,nullify_diis_objects
      nullify_gaussian_basis,nullify_gpu_pointers
      nullify_local_zone_descriptors,nullify_locreg_descriptors
      nullify_orbitals_data,nullify_paw_objects,nullify_rholoc_objects

SOURCE

 36 #if defined HAVE_CONFIG_H
 37 #include "config.h"
 38 #endif
 39 
 40 #include "abi_common.h"
 41 
 42 subroutine nullify_wvl_data(wvl)
 43 
 44  use m_profiling_abi
 45  use m_errors
 46  use defs_basis
 47  use defs_wvltypes
 48 #if defined HAVE_BIGDFT
 49   use BigDFT_API, only : &
 50 & nullify_gaussian_basis,nullify_local_zone_descriptors,&
 51 & nullify_orbitals_data,comms_cubic,comms_linear_null, &
 52 & nullify_diis_objects,p2pComms_null,&
 53 & nullify_GPU_pointers,nullify_locreg_descriptors,&
 54 & nullify_atoms_data,nullify_rholoc_objects,nullify_paw_objects,&
 55 & nullify_DFT_local_fields, DFT_PSP_projectors_null
 56 #endif
 57 
 58 !This section has been created automatically by the script Abilint (TD).
 59 !Do not modify the following lines by hand.
 60 #undef ABI_FUNC
 61 #define ABI_FUNC 'nullify_wvl_data'
 62 !End of the abilint section
 63 
 64  implicit none
 65 
 66 !Arguments ------------------------------------
 67  type(wvl_data) , intent(inout)  :: wvl
 68 
 69 !Local variables-------------------------------
 70 !character(len=500) :: message                   ! to be uncommented, if needed
 71  
 72 ! *************************************************************************
 73  
 74 #if defined HAVE_BIGDFT
 75 
 76  DBG_ENTER("COLL")
 77 
 78 !1)   wvl_projectors_type: projectors
 79  wvl%projectors%nlpsp=DFT_PSP_projectors_null()
 80 
 81 !2)   wvl_wf_type: wfs
 82 !2.1) DFT_wavefunction: ks
 83  nullify(wvl%wfs%ks%psi)
 84  nullify(wvl%wfs%ks%hpsi)
 85  nullify(wvl%wfs%ks%psit)
 86  nullify(wvl%wfs%ks%spsi)
 87  nullify(wvl%wfs%ks%gaucoeffs)
 88  nullify(wvl%wfs%ks%confdatarr)
 89  nullify(wvl%wfs%ks%oldpsis)
 90  nullify(wvl%wfs%ks%coeff)
 91 !2.1.1) gaussian_basis: gbd 
 92  call nullify_gaussian_basis(wvl%wfs%ks%gbd)
 93 !2.1.2) local_zone_descriptors: Lzd
 94  call nullify_local_zone_descriptors(wvl%wfs%ks%Lzd)
 95 !2.1.3) orbitals_data: orbs
 96  call nullify_orbitals_data(wvl%wfs%ks%orbs)
 97 !2.1.4) communications_arrays: comms
 98  wvl%wfs%ks%comms=comms_cubic_null()
 99 !2.1.5) diis_objects: diis
100  call nullify_diis_objects(wvl%wfs%ks%diis)
101 !2.1.6) p2pComms: comgp
102  wvl%wfs%ks%comgp = p2pComms_null()
103 !2.1.7) collective_comms: collcom
104  wvl%wfs%ks%collcom = comms_linear_null()
105 !2.1.8) collective_comms: collcom_sr
106  wvl%wfs%ks%collcom_sr = comms_linear_null()
107 
108 !2.2) GPU_pointers: GPU
109  call nullify_GPU_pointers(wvl%wfs%GPU)
110  wvl%wfs%GPU%OCLconv = .false.
111 
112 !3) wvl_internal_type: descr
113 !3.1) locreg_descriptors: Glr
114  call nullify_locreg_descriptors(wvl%descr%Glr)
115 !3.2) atoms_data: atoms
116  call nullify_atoms_data(wvl%descr%atoms)
117 !3.3) rholoc_objects: rholoc
118  call nullify_rholoc_objects(wvl%descr%rholoc)
119 !3.4) paw_objects: paw 
120  call nullify_paw_objects(wvl%descr%paw)
121 
122 !4) wvl_denspot_type: den
123 !4.1) DFT_local_fields: denspot
124  call nullify_DFT_local_fields(wvl%den%denspot)
125 
126 !5) wvl_energy_terms: e
127 !there are no pointers here
128 
129  DBG_EXIT("COLL")
130 
131 #else
132  ABI_UNUSED(wvl%den%symObj)
133 #endif
134 
135 #if defined HAVE_BIGDFT
136  contains

nullify_wvl_data/comms_cubic_null [ Functions ]

[ Top ] [ nullify_wvl_data ] [ Functions ]

NAME

  comms_cubic_null

FUNCTION

  Nullify comms

INPUTS

OUTPUT

PARENTS

CHILDREN

SOURCE

156 pure function comms_cubic_null() result(comms)
157 
158 
159 !This section has been created automatically by the script Abilint (TD).
160 !Do not modify the following lines by hand.
161 #undef ABI_FUNC
162 #define ABI_FUNC 'comms_cubic_null'
163 !End of the abilint section
164 
165   implicit none
166   type(comms_cubic) :: comms
167 ! *************************************************************************
168    nullify(comms%ncntd)
169    nullify(comms%ncntt)
170    nullify(comms%ndspld)
171    nullify(comms%ndsplt)
172    nullify(comms%nvctr_par)
173  end function comms_cubic_null