TABLE OF CONTENTS
ABINIT/dtfil_init_time [ Functions ]
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