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Makefile
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Makefile simplification: TOPDIR is used to define the same LIBOBJS everywhere.
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2016-08-25 19:27:31 +00:00 |
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compute_scf.f90
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Fix for NEB+hybrid functionals (courtesy of Daveide Colleoni)
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2016-05-05 21:08:14 +00:00 |
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engine_to_path_alat.f90
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NEB has new dir structure. Doc is not complete.
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2011-08-12 08:29:45 +00:00 |
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engine_to_path_fix_atom_pos.f90
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NEB has new dir structure. Doc is not complete.
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2011-08-12 08:29:45 +00:00 |
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engine_to_path_nat.f90
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NEB has new dir structure. Doc is not complete.
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2011-08-12 08:29:45 +00:00 |
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engine_to_path_pos.f90
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Reverting to the old behaviour (v5.0.1 and earlier) of the path initialization as the default.
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2013-06-07 10:04:56 +00:00 |
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fcp_opt_routines.f90
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New version of ESM, courtesy of Minoru Otani
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2015-07-30 11:48:07 +00:00 |
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input.f90
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Declaration of unused variables removed
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2015-09-19 18:05:36 +00:00 |
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make.depend
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Fix for NEB+hybrid functionals (courtesy of Daveide Colleoni)
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2016-05-05 21:08:14 +00:00 |
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neb.f90
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Writing to unit 0 shouldn't be done anywhere, since the outcome differs on
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2015-12-08 12:07:31 +00:00 |
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path_base.f90
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More remopval of confusing references to "istep"
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2015-12-15 17:41:47 +00:00 |
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path_formats.f90
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Output format of images fixed (now compatible with neb.x input).
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2012-08-31 11:59:22 +00:00 |
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path_gen_inputs.f90
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NEB wasn't recognizing perfectly valid input data if a white space was present
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2016-08-20 14:51:13 +00:00 |
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path_input_parameters_module.f90
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New version of ESM, courtesy of Minoru Otani
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2015-07-30 11:48:07 +00:00 |
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path_interpolation.f90
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NEB has new dir structure. Doc is not complete.
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2011-08-12 08:29:45 +00:00 |
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path_io_routines.f90
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- strings need a continuation character when a continued in a new line.
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2016-01-19 23:19:01 +00:00 |
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path_io_tools.f90
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Standard F2003 calls to: get_environment_variable, get_command_argument,
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2015-09-24 10:24:03 +00:00 |
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path_io_units_module.f90
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Local variable "stdinpath" replaces global one: there is no need to have so
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2013-01-15 20:22:29 +00:00 |
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path_opt_routines.f90
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- more implicit world communicator clean-up
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2013-10-06 19:09:46 +00:00 |
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path_read_cards_module.f90
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Writing to unit 0 shouldn't be done anywhere, since the outcome differs on
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2015-12-08 12:07:31 +00:00 |
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path_read_namelists_module.f90
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New version of ESM, courtesy of Minoru Otani
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2015-07-30 11:48:07 +00:00 |
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path_reparametrisation.f90
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- more implicit world communicator clean-up
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2013-10-06 19:09:46 +00:00 |
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path_to_engine_fix_atom_pos.f90
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NEB has new dir structure. Doc is not complete.
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2011-08-12 08:29:45 +00:00 |
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path_variables.f90
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NEB has new dir structure. Doc is not complete.
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2011-08-12 08:29:45 +00:00 |
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set_defaults.f90
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Interface for read/write in memory slightly simplified. Note that now the
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2013-02-12 13:34:22 +00:00 |
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stop_run_path.f90
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New version of ESM, courtesy of Minoru Otani
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2015-07-30 11:48:07 +00:00 |
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