Commit 506461be authored by giannozz's avatar giannozz

Undocumented and currently unusable card DIPOLE removed. I think that

CPV/src/berry_phase.f90 is also obsolete and no longer used


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/[email protected] c92efa57-630b-4861-b058-cf58834340f0
parent f792fea1
......@@ -37,7 +37,7 @@
USE fft_base, ONLY: dfftp, dffts, dfftb
USE fft_scalar, ONLY: cft_b_omp_init
USE stick_set, ONLY: pstickset
USE control_flags, ONLY: tdipole, gamma_only, smallmem
USE control_flags, ONLY: gamma_only, smallmem
USE berry_phase, ONLY: berry_setup
USE electrons_module, ONLY: bmeshset
USE electrons_base, ONLY: distribute_bands
......@@ -181,11 +181,8 @@
CALL gvecw_init ( ngw_ , intra_bgrp_comm )
CALL g2kin_init ( gg, tpiba2 )
!
! Allocate index required to compute polarizability
!
IF( tdipole ) THEN
CALL berry_setup( ngw_ , mill_g )
END IF
! Allocate index required to compute polarizability - currently disabled
! IF( tdipole ) CALL berry_setup( ngw_ , mill_g )
!
! global arrays are no more needed
!
......
......@@ -132,7 +132,6 @@ MODULE input
tprnsfac_ => tprnsfac, &
ampre_ => ampre, &
trane_ => trane, &
tdipole_ => tdipole, &
nomore_ => nomore, &
memchk_ => memchk, &
tpre_ => tpre, &
......@@ -220,7 +219,7 @@ MODULE input
ampre, nstep, restart_mode, ion_positions, startingwfc, printwfc, &
orthogonalization, electron_velocities, nat, if_pos, &
tefield, epol, efield, tefield2, epol2, efield2, remove_rigid_rot, &
iesr_inp, saverho, tdipole_card, rd_for, assume_isolated, wf_collect, &
iesr_inp, saverho, rd_for, assume_isolated, wf_collect, &
memory, ref_cell, tcpbo
USE funct, ONLY : dft_is_hybrid
!
......@@ -349,8 +348,6 @@ MODULE input
!
END SELECT
!
tdipole_ = tdipole_card
!
! ... set the restart flags
!
trane_ = .FALSE.
......
......@@ -37,7 +37,7 @@
USE xml_io_base, ONLY : save_print_counter
USE cp_main_variables, ONLY : nprint_nfi, iprint_stdout
USE io_files, ONLY : tmp_dir
USE control_flags, ONLY : ndw, tdipole
USE control_flags, ONLY : ndw
USE polarization, ONLY : print_dipole
USE io_global, ONLY : ionode, ionode_id, stdout
USE control_flags, ONLY : lwf, lwfpbe0nscf ! exx_wf related
......@@ -128,13 +128,12 @@
CALL print_eigenvalues( 31, tfile, tstdout, nfi, tps )
!
IF(tstdout) WRITE( stdout, * )
!
IF( kilobytes > 0 .AND. tstdout ) &
WRITE( stdout, fmt="(3X,'Allocated memory (kb) = ', I9 )" ) kilobytes
!
IF(tstdout) WRITE( stdout, * )
!
IF( tdipole ) CALL print_dipole( 32, tfile, nfi, tps )
!
! Polarization calculation currently disabled
! IF( tdipole ) CALL print_dipole( 32, tfile, nfi, tps )
!
IF( tstdout ) CALL printout_cell( stdout, h )
!
......
......@@ -36,7 +36,7 @@ MODULE control_flags
tfor, tpre, tzeroe, tsde, tsdp, tsdc, taurdr, &
ndr, ndw, tortho, ortho_eps, ortho_max, tstress, tprnfor, &
timing, memchk, tprnsfac, &
trane,dt_old,ampre, tranp, amprp, tdipole, t_diis, t_diis_simple,&
trane,dt_old,ampre, tranp, amprp, t_diis, t_diis_simple, &
t_diis_rot, tnosee, tnosep, tnoseh, tcp, tcap, tdamp, tdampions, &
tconvthrs, tolp, convergence_criteria, tionstep, nstepe, &
tsteepdesc, tatomicwfc, tscreen, gamma_only, force_pairing, &
......@@ -131,10 +131,6 @@ MODULE control_flags
!
LOGICAL :: tbeg = .FALSE.
!
! ... This flags control the calculation of the Dipole Moments
!
LOGICAL :: tdipole = .FALSE.
!
! ... Flags that controls DIIS electronic minimization
!
LOGICAL :: t_diis = .FALSE.
......@@ -368,9 +364,6 @@ MODULE control_flags
IF ( tcp .AND. tcap ) &
CALL errore( ' control_flags ', ' TCP AND TCAP BOTH TRUE', 0 )
!
IF ( tdipole .AND. thdyn ) &
CALL errore( ' control_flags ', ' DIPOLE WITH CELL DYNAMICS ', 0 )
!
IF ( tv0rd .AND. tsdp ) &
CALL errore( ' control_flags ', &
& ' READING IONS VELOCITY WITH STEEPEST D.', 0 )
......
......@@ -1307,7 +1307,6 @@ MODULE input_parameters
LOGICAL :: tforces = .false.
LOGICAL :: tocc = .false.
LOGICAL :: tcell = .false.
LOGICAL :: tdipole = .false.
LOGICAL :: tionvel = .false.
LOGICAL :: tconstr = .false.
LOGICAL :: tesr = .false.
......@@ -1364,11 +1363,6 @@ MODULE input_parameters
REAL(DP), ALLOCATABLE :: f_inp(:,:)
LOGICAL :: tf_inp = .false.
!
! DIPOLE
!
LOGICAL :: tdipole_card = .false.
!
! ESR
!
......@@ -1452,7 +1446,6 @@ SUBROUTINE reset_input_checks()
tksout = .false.
tionvel = .false.
tesr = .false.
tdipole = .false.
tcell = .false.
!
END SUBROUTINE reset_input_checks
......
......@@ -64,10 +64,6 @@ CONTAINS
ref_cell = .false.
rd_ref_ht = 0.0_DP
!
! ... dipole
!
tdipole_card = .false.
!
! ... Constraints
!
nconstr_inp = 0
......@@ -171,9 +167,7 @@ CONTAINS
!
ELSEIF ( trim(card) == 'DIPOLE' ) THEN
!
CALL card_dipole( input_line )
IF ( prog == 'PW' .and. ionode ) &
WRITE( stdout,'(A)') 'Warning: card '//trim(input_line)//' ignored'
CALL errore('read_cards','card DIPOLE no longer existing',1)
!
ELSEIF ( trim(card) == 'ESR' ) THEN
!
......@@ -985,45 +979,6 @@ CONTAINS
! BEGIN manual
!----------------------------------------------------------------------
!
! DIPOLE
!
! calculate polarizability
!
! Syntax:
!
! DIPOLE
!
! Where:
!
! no parameters
!
!----------------------------------------------------------------------
! END manual
!------------------------------------------------------------------------
!
SUBROUTINE card_dipole( input_line )
!
IMPLICIT NONE
!
CHARACTER(len=256) :: input_line
!
!
IF ( tdipole ) THEN
CALL errore( ' card_dipole ', ' two occurrences', 2 )
ENDIF
!
tdipole_card = .true.
tdipole = .true.
!
RETURN
!
END SUBROUTINE card_dipole
!
!
!------------------------------------------------------------------------
! BEGIN manual
!----------------------------------------------------------------------
!
! IESR
!
! use the specified number of neighbour cells for Ewald summations
......
......@@ -130,9 +130,6 @@ CONTAINS
CALL allocate_input_iprnks( 0, nspin )
nprnks = 0
!
CASE ('DIPOLE')
! ... not yet implemented in xml reading
tdipole_card = .FALSE.
CASE ('ESR')
! ... not yet implemented in xml reading
iesr_inp = 1
......
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