mirror of https://gitlab.com/QEF/q-e.git
53 lines
1.8 KiB
Fortran
53 lines
1.8 KiB
Fortran
!
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! Copyright (C) 2003-2005 Quantum-ESPRESSO group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!----------------------------------------------------------------------------
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MODULE path_formats
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!----------------------------------------------------------------------------
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!
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! ... this module contains the I/O formats used by all "path"-routines
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!
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! ... Written by Carlo Sbraccia ( 2003-2005 )
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!
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CHARACTER (LEN=*), PARAMETER :: &
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lattice_vectors = "(3(2X,F14.10),/,3(2X,F14.10),/,3(2X,F14.10))"
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!
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CHARACTER (LEN=*), PARAMETER :: &
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restart_first = "(3(2X,F18.12),3(2X,F18.12),3(2X,I1))", &
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restart_others = "(3(2X,F18.12),3(2X,F18.12))"
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!
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CHARACTER (LEN=*), PARAMETER :: &
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quick_min = "(9(2X,F18.12))", &
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energy = "(2X,F18.10)"
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!
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CHARACTER (LEN=*), PARAMETER :: &
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dat_fmt = "(3(2X,F16.10))", &
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int_fmt = "(2(2X,F16.10))", &
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xyz_fmt = "(A2,3(2X,F14.10))", &
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axsf_fmt = "(A2,6(2X,F14.10))"
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!
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CHARACTER (LEN=*), PARAMETER :: &
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scf_iter_fmt = "(/,5X,30('-'),(1X,'iteration ',I3,1X),30('-'),/)", &
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scf_fmt = "(5X,'tcpu = ',F8.1," // &
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& "' self-consistency for image ', I3)", &
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scf_fmt_para = "(5X,'cpu = ',I2,' tcpu = ',F8.1," // &
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& "' self-consistency for image ', I3)"
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!
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CHARACTER (LEN=*), PARAMETER :: &
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run_info = "(5X,'image',8X,'energy (eV)',8X,'error (eV/A)',8X,'frozen',/)"
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!
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CHARACTER (LEN=*), PARAMETER :: &
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run_output = "(5X,I5,4X,F15.7,10X,F10.6,12X,L1)"
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!
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CHARACTER (LEN=*), PARAMETER :: &
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summary_fmt = "(5X,A,T35,' = ',1X,A)"
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!
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CHARACTER (LEN=*), PARAMETER :: &
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final_fmt = "(/,5X,75('-'),/)"
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!
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END MODULE path_formats
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