mirror of https://gitlab.com/QEF/q-e.git
58 lines
2.0 KiB
Fortran
58 lines
2.0 KiB
Fortran
!
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! Copyright (C) 2002 FPMD 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 wavefunctions_module
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!=----------------------------------------------------------------------------=!
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USE kinds, ONLY : DP, dbl
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IMPLICIT NONE
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SAVE
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!
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COMPLEX(KIND=DP), ALLOCATABLE, TARGET :: &
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evc(:,:) ! wavefunctions in the PW basis
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!
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COMPLEX(KIND=DP) , ALLOCATABLE, TARGET :: &
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psic(:) ! additional memory for FFT
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! three index wave functions, for non colinear code
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!
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COMPLEX(KIND=DP), ALLOCATABLE, TARGET :: &
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evc_nc(:,:,:) ! wavefunctions in the PW basis
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!
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COMPLEX(KIND=DP), ALLOCATABLE, TARGET :: &
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psic_nc(:,:) ! additional memory for FFT
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!
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! electronic wave functions, FPMD code
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!
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COMPLEX(dbl), ALLOCATABLE :: c0(:,:,:,:) ! wave functions at time t
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COMPLEX(dbl), ALLOCATABLE :: cm(:,:,:,:) ! wave functions at time t-delta t
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COMPLEX(dbl), ALLOCATABLE :: cp(:,:,:,:) ! wave functions at time t+delta t
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COMPLEX(dbl), ALLOCATABLE :: ce(:,:,:,:) ! empty states wave func. at time t
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CONTAINS
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SUBROUTINE deallocate_wavefunctions
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IF( ALLOCATED( c0 ) ) DEALLOCATE( c0 )
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IF( ALLOCATED( cm ) ) DEALLOCATE( cm )
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IF( ALLOCATED( cp ) ) DEALLOCATE( cp )
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IF( ALLOCATED( ce ) ) DEALLOCATE( ce )
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IF( ALLOCATED( psic_nc ) ) DEALLOCATE( psic_nc )
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IF( ALLOCATED( evc_nc ) ) DEALLOCATE( evc_nc )
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IF( ALLOCATED( psic ) ) DEALLOCATE( psic )
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IF( ALLOCATED( evc ) ) DEALLOCATE( evc )
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END SUBROUTINE
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!=----------------------------------------------------------------------------=!
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END MODULE wavefunctions_module
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!=----------------------------------------------------------------------------=!
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