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quantum-espresso
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Minor cleanup of unused variables and of constants 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3202 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2006-06-23 13:46:13 +00:00
parent ed8de0e611
commit 65a7670b85
10 changed files with 11 additions and 13 deletions
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2
CPV/cg_sub.f90
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@ -56,7 +56,7 @@
use derho
use cdvan
use stre
use constants, only: pi, factem, au_gpa
use constants, only: pi, au_gpa
use io_files, only: psfile, pseudo_dir
use io_files, only: outdir

2
CPV/cpr.f90
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@ -73,7 +73,7 @@ SUBROUTINE cprmain( tau_out, fion_out, etot_out )
USE stre, ONLY : stress
USE gvecw, ONLY : ggp
USE parameters, ONLY : nsx
USE constants, ONLY : pi, factem, au_gpa, au_ps, gpa_au
USE constants, ONLY : pi, factem, au_ps
USE io_files, ONLY : psfile, pseudo_dir
USE wave_base, ONLY : wave_steepest, wave_verlet
USE wave_base, ONLY : wave_speed2, frice, grease

1
CPV/inner_loop.f90
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@ -68,7 +68,6 @@
USE derho
USE cdvan
USE stre
USE constants, ONLY: pi, factem
USE io_files, ONLY: psfile, pseudo_dir, outdir
USE uspp, ONLY: nhsa=> nkb, betae => vkb, &
rhovan => becsum, deeq

2
CPV/print_out.f90
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@ -53,7 +53,7 @@
USE energies, ONLY : print_energies, dft_energy_type
USE printout_base, ONLY : printout_base_open, printout_base_close, &
printout_pos, printout_cell, printout_stress
USE constants, ONLY : factem, au_gpa, amu_si, bohr_radius_cm, amu_au, BOHR_RADIUS_ANGS
USE constants, ONLY : au_gpa, amu_si, bohr_radius_cm, amu_au, BOHR_RADIUS_ANGS
USE ions_base, ONLY : na, nsp, nat, ind_bck, atm, ityp, pmass, &
cdm_displacement, ions_displacement
USE cell_base, ONLY : s_to_r, get_volume

2
CPV/smcp.f90
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@ -58,7 +58,7 @@ SUBROUTINE smdmain( tau, fion_out, etot_out, nat_out )
USE gvecp, ONLY : ecutp
USE restart_file, ONLY : writefile, readfile
USE parameters, ONLY : nacx, nsx, nhclm
USE constants, ONLY : pi, factem, au_gpa, au_ps, gpa_au
USE constants, ONLY : pi, factem, au_ps
USE io_files, ONLY : psfile, pseudo_dir, smwout, outdir
USE wave_base, ONLY : wave_steepest, wave_verlet
USE wave_base, ONLY : wave_speed2, frice, grease

4
Modules/cell_base.f90
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@ -416,7 +416,7 @@
a_ , b_ , c_ , cosab, cosac, cosbc, wc_ , total_ions_mass , press_ , &
frich_ , greash_ , cell_dofree )
USE constants, ONLY: bohr_radius_angs, gpa_au, pi, amu_au
USE constants, ONLY: bohr_radius_angs, au_gpa, pi, amu_au
USE io_global, ONLY: stdout
IMPLICIT NONE
@ -455,7 +455,7 @@
CALL errore( ' cell_base_init ', ' do not specify both celldm and a,b,c!', 1 )
END IF
press = press_ * gpa_au
press = press_ / au_gpa
! frich = frich_ ! for the time being this is set elsewhere
greash = greash_

1
Modules/constants.f90
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@ -50,7 +50,6 @@ MODULE constants
REAL(DP), PARAMETER :: AU_KB = 294210.0D0 ! Kbar
REAL(DP), PARAMETER :: KB_AU = 1.0D0/294210.0D0 ! au
REAL(DP), PARAMETER :: AU_GPA = 29421.0D0 ! GPa
REAL(DP), PARAMETER :: GPA_AU = 1.0_DP/AU_GPA ! au
REAL(DP), PARAMETER :: AUTOEV = 27.211652D0 ! eV
REAL(DP), PARAMETER :: RYTOEV = 13.605826D0 ! eV
REAL(DP), PARAMETER :: AMU_AU = 1822.89D0 ! (mass of a proton)

4
Modules/electrons_base.f90
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@ -442,7 +442,7 @@
!------------------------------------------------------------------------------!
subroutine electrons_nose_init( ekincw_ , fnosee_ )
USE constants, ONLY: factem, pi, au_terahertz
USE constants, ONLY: pi, au_terahertz
REAL(DP), INTENT(IN) :: ekincw_, fnosee_
! set thermostat parameter for electrons
qne = 0.0d0
@ -501,7 +501,7 @@
SUBROUTINE electrons_nose_info()
use constants, only: factem, au_terahertz, pi
use constants, only: au_terahertz, pi
use time_step, only: delt
USE io_global, ONLY: stdout
USE control_flags, ONLY: tnosee

2
Modules/ions_nose.f90
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@ -227,7 +227,7 @@
SUBROUTINE ions_nose_info()
use constants, only: factem, au_terahertz, pi
use constants, only: au_terahertz, pi
use time_step, only: delt
USE io_global, ONLY: stdout
USE control_flags, ONLY: tnosep

4
Modules/read_namelists.f90
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@ -14,8 +14,6 @@ MODULE read_namelists_module
! --------------------------------------------------
!
USE kinds, ONLY : DP
USE constants, ONLY : factem, kb_au, au_kb, k_boltzman_au, angstrom_au, &
amu_au, pi, e2
USE input_parameters
!
IMPLICIT NONE
@ -1477,6 +1475,8 @@ MODULE read_namelists_module
SUBROUTINE fixval( prog )
!-----------------------------------------------------------------------
!
USE constants, ONLY : e2
!
IMPLICIT NONE
!
CHARACTER(LEN=2) :: prog ! ... specify the calling program