mirror of https://gitlab.com/QEF/q-e.git
92 lines
3.1 KiB
Fortran
92 lines
3.1 KiB
Fortran
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!
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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 grid_dimensions
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!=----------------------------------------------------------------------------=!
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! This module contains the dimensions of the 3D real and reciprocal space
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! grid relative to the charde density and potential
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IMPLICIT NONE
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SAVE
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INTEGER :: nr1 = 0 ! local first dimension of the 3D grid
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INTEGER :: nr2 = 0 ! local second " "
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INTEGER :: nr3 = 0 ! local third " "
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INTEGER :: nr1x = 0 ! leading dimension
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INTEGER :: nr2x = 0
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INTEGER :: nr3x = 0
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INTEGER :: nr1t = 0 ! global first dimension (sum over all proc of nr1)
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INTEGER :: nr2t = 0 !
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INTEGER :: nr3t = 0 !
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INTEGER :: nnrx = 0 ! nr1x * nr2x * nr3
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INTEGER :: nnrxt = 0 ! nr1x * nr2x * nr3t
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!=----------------------------------------------------------------------------=!
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END MODULE grid_dimensions
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!=----------------------------------------------------------------------------=!
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!=----------------------------------------------------------------------------=!
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MODULE smooth_grid_dimensions
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!=----------------------------------------------------------------------------=!
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! This module contains the dimensions of the 3D real and reciprocal space
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! grid relative to the smooth charge density ( see Vanderbilt Pseudopot )
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IMPLICIT NONE
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SAVE
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! parameter description: same as above but for smooth grid
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INTEGER :: nr1s = 0
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INTEGER :: nr2s = 0
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INTEGER :: nr3s = 0
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INTEGER :: nr1sx = 0
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INTEGER :: nr2sx = 0
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INTEGER :: nr3sx = 0
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INTEGER :: nr1st = 0
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INTEGER :: nr2st = 0
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INTEGER :: nr3st = 0
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INTEGER :: nnrsx = 0
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INTEGER :: nnrsxt = 0
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!=----------------------------------------------------------------------------=!
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END MODULE smooth_grid_dimensions
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!=----------------------------------------------------------------------------=!
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!=----------------------------------------------------------------------------=!
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MODULE smallbox_grid_dimensions
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!=----------------------------------------------------------------------------=!
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! This module contains the dimensions of the 3D real and reciprocal space
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! sub grid relative to the atomic augmentation charge density
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! ( see Vanderbilt Pseudopot )
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IMPLICIT NONE
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SAVE
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! parameter description: same as above but for small box grid
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INTEGER :: nr1b = 0
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INTEGER :: nr2b = 0
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INTEGER :: nr3b = 0
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INTEGER :: nr1bx = 0
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INTEGER :: nr2bx = 0
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INTEGER :: nr3bx = 0
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INTEGER :: nr1bt = 0
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INTEGER :: nr2bt = 0
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INTEGER :: nr3bt = 0
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INTEGER :: nnrbx = 0
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INTEGER :: nnrbxt = 0
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!=----------------------------------------------------------------------------=!
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END MODULE smallbox_grid_dimensions
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!=----------------------------------------------------------------------------=!
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