mirror of https://gitlab.com/QEF/q-e.git
Added another unit needed by neb (and eventually by other codes)
to terminate a simulation creating an empty file "EXIT" in the working directory. C.S. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@399 c92efa57-630b-4861-b058-cf58834340f0
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@ -52,6 +52,8 @@
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neb_file = 'os.neb', &! file containing informations needed to restart a neb simulation
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neb_file = 'os.neb', &! file containing informations needed to restart a neb simulation
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xyz_file = 'os.xyz', &! file containing coordinates of all images in xyz format
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xyz_file = 'os.xyz', &! file containing coordinates of all images in xyz format
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axsf_file = 'os.axsf' ! file containing coordinates of all images in axsf format
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axsf_file = 'os.axsf' ! file containing coordinates of all images in axsf format
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CHARACTER (LEN=4), PARAMETER :: &
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exit_file = "EXIT" ! file required for a soft exit
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!
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!
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! ... The units where various variables are saved
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! ... The units where various variables are saved
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!
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!
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INTEGER :: iunint = 23 ! unit for saving the interpolated energy profile
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INTEGER :: iunint = 23 ! unit for saving the interpolated energy profile
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INTEGER :: iunxyz = 24 ! unit for saving coordinates ( xyz format )
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INTEGER :: iunxyz = 24 ! unit for saving coordinates ( xyz format )
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INTEGER :: iunaxsf = 25 ! unit for saving coordinates ( axsf format )
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INTEGER :: iunaxsf = 25 ! unit for saving coordinates ( axsf format )
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INTEGER :: iunexit = 26 ! unit for a soft exit
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!=----------------------------------------------------------------------------=!
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!=----------------------------------------------------------------------------=!
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END MODULE io_files
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END MODULE io_files
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