quantum-espresso/NEB
marsamos f83cfca2a0 open_input_file modified to automatically detect xml. There is no nedd
for arg -xmlinput now.
all routines calling find_free_unit or trimcheck have been
modified. 


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7926 c92efa57-630b-4861-b058-cf58834340f0
2011-07-04 15:27:16 +00:00
..
Makefile open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
compute_scf.f90 parser for neb input generation is more robust, now accepts empty lines 2011-02-14 15:58:36 +00:00
engine_to_path_alat.f90 neb working with the input parser. ONLY SERIAL AT THE MOMENT!!!!!! 2011-01-17 17:05:02 +00:00
engine_to_path_fix_atom_pos.f90 neb working with the input parser. ONLY SERIAL AT THE MOMENT!!!!!! 2011-01-17 17:05:02 +00:00
engine_to_path_nat.f90 neb working with the input parser. ONLY SERIAL AT THE MOMENT!!!!!! 2011-01-17 17:05:02 +00:00
engine_to_path_pos.f90 neb working with the input parser. ONLY SERIAL AT THE MOMENT!!!!!! 2011-01-17 17:05:02 +00:00
input.f90 neb with automatic detection of xml is now working. 2011-02-15 13:38:55 +00:00
io_tools.f90 added research of argument -input_images when not parsing input file 2011-02-01 10:44:58 +00:00
make.depend make.depend updated 2011-03-25 18:35:26 +00:00
neb.f90 open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
path_base.f90 no parallel with images is working. still inconsistencies with stdout (out.0_0) 2011-01-27 10:15:44 +00:00
path_formats.f90 add neb files to NEB dir (all from original path files) 2010-08-30 12:11:47 +00:00
path_gen_inputs.f90 open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
path_input_parameters_module.f90 neb working with the input parser. ONLY SERIAL AT THE MOMENT!!!!!! 2011-01-17 17:05:02 +00:00
path_interpolation.f90 changes in the name of path_int --> path_interpolation 2011-01-27 12:09:40 +00:00
path_interpolation.sh changes in the name of path_int --> path_interpolation 2011-01-27 12:09:40 +00:00
path_io_routines.f90 Standard for empty character variable is ' ', not '' 2011-05-11 08:03:44 +00:00
path_io_units_module.f90 open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
path_merge.sh path related routines in pwtools moved to NEB dir 2010-08-31 03:22:54 +00:00
path_opt_routines.f90 more cleaning in neb. preparing thinks for introducing the input parser. 2011-01-10 17:13:35 +00:00
path_read_cards_module.f90 change stdout with 0 for warning messages in path_read_cards_module 2011-02-10 15:07:36 +00:00
path_read_namelists_module.f90 more cleaning in neb. preparing thinks for introducing the input parser. 2011-01-10 17:13:35 +00:00
path_reparametrisation.f90 a lot of cleaning for neb. parallelism on pw is working. parall 2010-12-20 22:17:20 +00:00
path_to_engine_fix_atom_pos.f90 neb working with the input parser. ONLY SERIAL AT THE MOMENT!!!!!! 2011-01-17 17:05:02 +00:00
path_to_engine_mp.f90 missing file path_to_engine_mp 2011-01-27 10:54:22 +00:00
path_variables.f90 more cleaning in neb. preparing thinks for introducing the input parser. 2011-01-10 17:13:35 +00:00
set_defaults.f90 open_input_file modified to automatically detect xml. There is no nedd 2011-07-04 15:27:16 +00:00
stop_run_path.f90 small beauty things changed in stop_run_path.f90 2011-03-25 14:57:52 +00:00
test_input_file.f90 neb with automatic detection of xml is now working. 2011-02-15 13:38:55 +00:00