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Makefile
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change io_tools into path_io_tools in NEB Makefile.
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2011-08-05 13:17:59 +00:00 |
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compute_scf.f90
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Some k-point cleanup. No warranty it works: I don't have the possibility to
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2011-08-05 16:05:06 +00:00 |
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engine_to_path_alat.f90
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neb working with the input parser. ONLY SERIAL AT THE MOMENT!!!!!!
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2011-01-17 17:05:02 +00:00 |
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engine_to_path_fix_atom_pos.f90
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neb working with the input parser. ONLY SERIAL AT THE MOMENT!!!!!!
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2011-01-17 17:05:02 +00:00 |
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engine_to_path_nat.f90
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neb working with the input parser. ONLY SERIAL AT THE MOMENT!!!!!!
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2011-01-17 17:05:02 +00:00 |
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engine_to_path_pos.f90
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neb working with the input parser. ONLY SERIAL AT THE MOMENT!!!!!!
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2011-01-17 17:05:02 +00:00 |
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input.f90
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neb with automatic detection of xml is now working.
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2011-02-15 13:38:55 +00:00 |
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make.depend
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- grid data structure merged with the fft data structure.
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2011-07-14 22:14:15 +00:00 |
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neb.f90
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open_input_file modified to automatically detect xml. There is no nedd
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2011-07-04 15:27:16 +00:00 |
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path_base.f90
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no parallel with images is working. still inconsistencies with stdout (out.0_0)
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2011-01-27 10:15:44 +00:00 |
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path_formats.f90
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add neb files to NEB dir (all from original path files)
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2010-08-30 12:11:47 +00:00 |
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path_gen_inputs.f90
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open_input_file modified to automatically detect xml. There is no nedd
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2011-07-04 15:27:16 +00:00 |
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path_input_parameters_module.f90
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neb working with the input parser. ONLY SERIAL AT THE MOMENT!!!!!!
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2011-01-17 17:05:02 +00:00 |
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path_interpolation.f90
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changes in the name of path_int --> path_interpolation
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2011-01-27 12:09:40 +00:00 |
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path_interpolation.sh
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changes in the name of path_int --> path_interpolation
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2011-01-27 12:09:40 +00:00 |
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path_io_routines.f90
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Standard for empty character variable is ' ', not ''
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2011-05-11 08:03:44 +00:00 |
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path_io_tools.f90
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test on svn move
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2011-08-05 10:04:53 +00:00 |
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path_io_units_module.f90
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open_input_file modified to automatically detect xml. There is no nedd
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2011-07-04 15:27:16 +00:00 |
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path_merge.sh
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path related routines in pwtools moved to NEB dir
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2010-08-31 03:22:54 +00:00 |
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path_opt_routines.f90
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more cleaning in neb. preparing thinks for introducing the input parser.
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2011-01-10 17:13:35 +00:00 |
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path_read_cards_module.f90
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change stdout with 0 for warning messages in path_read_cards_module
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2011-02-10 15:07:36 +00:00 |
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path_read_namelists_module.f90
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more cleaning in neb. preparing thinks for introducing the input parser.
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2011-01-10 17:13:35 +00:00 |
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path_reparametrisation.f90
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a lot of cleaning for neb. parallelism on pw is working. parall
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2010-12-20 22:17:20 +00:00 |
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path_to_engine_fix_atom_pos.f90
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neb working with the input parser. ONLY SERIAL AT THE MOMENT!!!!!!
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2011-01-17 17:05:02 +00:00 |
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path_to_engine_mp.f90
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missing file path_to_engine_mp
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2011-01-27 10:54:22 +00:00 |
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path_variables.f90
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more cleaning in neb. preparing thinks for introducing the input parser.
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2011-01-10 17:13:35 +00:00 |
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set_defaults.f90
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Serious NEB bug: an integer function wasn't defined as such.
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2011-08-05 16:03:14 +00:00 |
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stop_run_path.f90
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small beauty things changed in stop_run_path.f90
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2011-03-25 14:57:52 +00:00 |
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