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ABINIT/dtfil_init_time [ Functions ]

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NAME

 dtfil_init_time

FUNCTION

 Inside the itimimage, iimage and itime loops (this is only needed for optdriver=0),
 initialize the remaining parts of dtfil.

COPYRIGHT

 Copyright (C) 2010-2018 ABINIT group (XG)
 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 .

INPUTS

 iapp=indicates the eventual suffix to be appended to the generic output root
         if 0 : no suffix to be appended (called directly from gstate)
         if positive : append "_TIM//iapp" (called from move or brdmin)
         if -1 : append "_TIM0" (called from brdmin)
         if -2, -3, -4, -5: append "_TIMA", ... ,"_TIMD", (called from move)

OUTPUT

SIDE EFFECTS

 dtfil=<type datafiles_type>infos about file names, file unit numbers
  (part of which were initialized previously)

PARENTS

      gstate,mover

CHILDREN

      fappnd

SOURCE

 40 #if defined HAVE_CONFIG_H
 41 #include "config.h"
 42 #endif
 43 
 44 #include "abi_common.h"
 45 
 46 
 47 subroutine dtfil_init_time(dtfil,iapp)
 48 
 49  use defs_basis
 50  use defs_abitypes
 51  use m_errors
 52  use m_profiling_abi
 53  use m_xmpi
 54 
 55 !This section has been created automatically by the script Abilint (TD).
 56 !Do not modify the following lines by hand.
 57 #undef ABI_FUNC
 58 #define ABI_FUNC 'dtfil_init_time'
 59  use interfaces_32_util
 60 !End of the abilint section
 61 
 62  implicit none
 63 
 64 !Arguments ------------------------------------
 65 !scalars
 66  integer, intent(in) :: iapp
 67  type(datafiles_type),intent(inout) :: dtfil
 68 
 69 !Local variables-------------------------------
 70 !scalars
 71  character(len=fnlen) :: filapp,filprot
 72 
 73 !******************************************************************
 74 
 75  DBG_ENTER("COLL")
 76 
 77 !--------------------------------------------------------
 78 !Names based on dtfil%filnam_ds(4)+iapp
 79 
 80 !Prepare the name of the auxiliary files DOS, EIG...
 81  call fappnd(filapp,dtfil%filnam_ds(4),iapp)
 82  dtfil%fnameabo_app=trim(filapp)
 83  dtfil%fnameabo_app_atmden_core=trim(filapp)//'_ATMDEN_CORE'
 84  dtfil%fnameabo_app_atmden_val=trim(filapp)//'_ATMDEN_VAL'
 85  dtfil%fnameabo_app_atmden_full=trim(filapp)//'_ATMDEN_FULL'
 86  dtfil%fnameabo_app_n_tilde=trim(filapp)//'_N_TILDE'
 87  dtfil%fnameabo_app_n_one=trim(filapp)//'_N_ONE'
 88  dtfil%fnameabo_app_nt_one=trim(filapp)//'_NT_ONE'
 89  dtfil%fnameabo_app_bxsf=trim(filapp)//'_BXSF'
 90  dtfil%fnameabo_app_cif=trim(filapp)//'.cif'
 91  dtfil%fnameabo_app_den=trim(filapp)//'_DEN'
 92  dtfil%fnameabo_app_dos=trim(filapp)//'_DOS'
 93  dtfil%fnameabo_app_eig=trim(filapp)//'_EIG'
 94  dtfil%fnameabo_app_elf=trim(filapp)//'_ELF'
 95  dtfil%fnameabo_app_elf_down=trim(filapp)//'_ELF_DOWN'
 96  dtfil%fnameabo_app_elf_up=trim(filapp)//'_ELF_UP'
 97  dtfil%fnameabo_app_fatbands=trim(filapp)//'_FATBANDS'
 98  dtfil%fnameabo_app_gden1=trim(filapp)//'_GDEN1'
 99  dtfil%fnameabo_app_gden2=trim(filapp)//'_GDEN2'
100  dtfil%fnameabo_app_gden3=trim(filapp)//'_GDEN3'
101  dtfil%fnameabo_app_geo=trim(filapp)//'_GEO'
102  dtfil%fnameabo_app_kden=trim(filapp)//'_KDEN'
103  dtfil%fnameabo_app_lden=trim(filapp)//'_LDEN'
104  dtfil%fnameabo_app_nesting=trim(filapp)//'_NEST'
105  dtfil%fnameabo_app_opt=trim(filapp)//'_OPT'
106  dtfil%fnameabo_app_opt2=trim(filapp)//'_OPT2'
107  dtfil%fnameabo_app_pawden=trim(filapp)//'_PAWDEN'
108  dtfil%fnameabo_app_pot=trim(filapp)//'_POT'
109  dtfil%fnameabo_app_stm=trim(filapp)//'_STM'
110  dtfil%fnameabo_app_vclmb=trim(filapp)//'_VCLMB'
111  dtfil%fnameabo_app_vha=trim(filapp)//'_VHA'
112  dtfil%fnameabo_app_vhxc=trim(filapp)//'_VHXC'
113  dtfil%fnameabo_app_vpsp=trim(filapp)//'_VPSP'
114  dtfil%fnameabo_app_vxc=trim(filapp)//'_VXC'
115  dtfil%fnameabo_app_wfk=trim(filapp)//'_WFK'
116  dtfil%fnameabo_app_vha_1dm=trim(filapp)//'_VHA_1DM'
117  dtfil%fnameabo_app_vclmb_1dm=trim(filapp)//'_VCLMB_1DM'
118  dtfil%fnameabo_app_1dm=trim(filapp)//'_1DM'
119 
120 !--------------------------------------------------------
121 !Names based on dtfil%filnam_ds(5)+iapp
122 
123 !Prepare the name of the auxiliary files for protection
124  call fappnd(filprot,dtfil%filnam_ds(5),iapp)
125  dtfil%fnametmp_app_den=trim(filprot)//'_DEN'
126  dtfil%fnametmp_app_kden=trim(filprot)//'_KDEN'
127 
128  DBG_EXIT("COLL")
129 
130 end subroutine dtfil_init_time