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<h3>TABLE OF CONTENTS</h3>
<ul>
<li><a href="#robo49">etsf_io_geometry_def</a></li>
</ul>
<hr />
<a name="etsf5fgeometry2fetsf5fio5fgeometry5fdef"></a>
<a name="robo49"></a><h2>etsf_io_geometry_def</h2>
<p>[ <a href="#robo_top_of_doc">Top</a> ] [ <a href="./etsf_io_f90.html#robo12">etsf_geometry</a> ] [ <a href="../robo_methods.html#robo_top_of_doc">Methods</a> ]</p>
<p class="item_name">NAME</p>
<p> <strong>etsf_io_geometry_def</strong>
</p>
<p class="item_name">FUNCTION</p>
<p> The given ETSF file must be opened and in define state (see
<a href="../low_level/etsf_io_low_level_f90.html#robo88">etsf_io_low_set_define_mode</a>() to change it). Then, all variable of the group
are defined. All required dimensions must have already defined (see
<a href="./etsf_io_dims_def_f90.html#robo33">etsf_io_dims_def</a>(). If some dimensions are missing, then the variable
is not defined and no error are generated.
</p>
<p> One can specify which variable may be splitted using the optional argument
@split. For each associated array in this structure, variable with appropriated
dimensions will use my_<something> instead of <something>.
</p>
<p class="item_name">INPUTS</p>
<ul><li> ncid =
integer returned by an 'open' NetCDF call. The file can be
either in define or write mode. This status can be changed
by the call.
</li>
<li> k_dependent = (optional)
use this argument to set the attribute flag 'k_dependent' to 'yes'
or 'no' on variables that have it. If no variable in the group has
the attribute 'k_dependent', this argument has no effect. The default
value is .true. (which puts 'yes' in the file).
</li>
<li> flags = (optional)
One can choose the variables of the group
that will be defined (and disk allocated) using this flag. This is a sum
of values taken from #<a href="./etsf_io_f90.html#robo127">FLAGS_VARIABLES</a>.
</li>
<li> split <type(<a href="./etsf_io_f90.html#robo124">etsf_split</a>)> = (optional)
for each array associated in the type, the dimension used to declared the
variables sizes will be 'my_/something/'.
</li>
</ul>
<p></p>
<p class="item_name">OUTPUT</p>
<ul><li> lstat =
return .true. if all the actions succeed, if not the status
of the file is undefined.
</li>
<li> error_data <type(<a href="../low_level/public_variables_f90.html#robo68">etsf_io_low_error</a>)> =
contains the details of the error is @lstat is false.
</li>
</ul>
<p></p>
<p class="item_name">NOTES</p>
<p> This file has been automatically generated by the autogen_subroutines.py
script. Any change you would bring to it will systematically be
overwritten.
</p>
<p class="item_name">SOURCE</p>
<pre class="source"><span class="keyword">subroutine</span> <strong>etsf_io_geometry_def</strong><span class="sign">(</span>ncid<span class="sign">,</span> lstat<span class="sign">,</span> error_data<span class="sign">,</span> k_dependent<span class="sign">,</span> flags<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> split<span class="sign">)</span>
<span class="comment">!Arguments ------------------------------------</span>
<span class="keyword">integer</span><span class="sign">,</span> <span class="keyword">intent</span><span class="sign">(</span><span class="keyword">in</span><span class="sign">)</span> <span class="sign">:</span><span class="sign">:</span> ncid
<span class="keyword">logical</span><span class="sign">,</span> <span class="keyword">intent</span><span class="sign">(</span><span class="keyword">out</span><span class="sign">)</span> <span class="sign">:</span><span class="sign">:</span> lstat
<span class="keyword">type</span><span class="sign">(</span><a href="../low_level/public_variables_f90.html#robo68">etsf_io_low_error</a><span class="sign">)</span><span class="sign">,</span> <span class="keyword">intent</span><span class="sign">(</span><span class="keyword">out</span><span class="sign">)</span> <span class="sign">:</span><span class="sign">:</span> error_data
<span class="keyword">logical</span><span class="sign">,</span> <span class="keyword">optional</span><span class="sign">,</span> <span class="keyword">intent</span><span class="sign">(</span><span class="keyword">in</span><span class="sign">)</span> <span class="sign">:</span><span class="sign">:</span> k_dependent
<span class="keyword">integer</span><span class="sign">,</span> <span class="keyword">optional</span><span class="sign">,</span> <span class="keyword">intent</span><span class="sign">(</span><span class="keyword">in</span><span class="sign">)</span> <span class="sign">:</span><span class="sign">:</span> flags
<span class="keyword">type</span><span class="sign">(</span><a href="./etsf_io_f90.html#robo124">etsf_split</a><span class="sign">)</span><span class="sign">,</span> <span class="keyword">optional</span><span class="sign">,</span> <span class="keyword">intent</span><span class="sign">(</span><span class="keyword">in</span><span class="sign">)</span> <span class="sign">:</span><span class="sign">:</span> split
<span class="comment">!Local variables-------------------------------</span>
<span class="keyword">character</span><span class="sign">(</span><span class="keyword">len</span> <span class="sign">=</span> <span class="sign">*</span><span class="sign">)</span><span class="sign">,</span> <span class="keyword">parameter</span> <span class="sign">:</span><span class="sign">:</span> my_name <span class="sign">=</span> <span class="squote">'<strong>etsf_io_geometry_def</strong>'</span>
<span class="keyword">logical</span> <span class="sign">:</span><span class="sign">:</span> my_k_dependent
<span class="keyword">integer</span> <span class="sign">:</span><span class="sign">:</span> my_flags
<span class="keyword">type</span><span class="sign">(</span><a href="./etsf_io_f90.html#robo124">etsf_split</a><span class="sign">)</span> <span class="sign">:</span><span class="sign">:</span> my_split
<span class="keyword">integer</span> <span class="sign">:</span><span class="sign">:</span> ivar
<span class="keyword">type</span><span class="sign">(</span>split_dim_names<span class="sign">)</span> <span class="sign">:</span><span class="sign">:</span> split_dims
<span class="comment">! *************************************************************************</span>
<span class="comment">!DEBUG</span>
<span class="comment">!write (*,*) '<strong>etsf_io_geometry_def</strong> : enter'</span>
<span class="comment">!ENDDEBUG</span>
<span class="comment">! Get values for optional arguments, set default.</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">present</span><span class="sign">(</span>k_dependent<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
my_k_dependent <span class="sign">=</span> k_dependent
<span class="keyword">else</span>
my_k_dependent <span class="sign">=</span> <span class="sign">.</span><span class="keyword">true</span><span class="sign">.</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">present</span><span class="sign">(</span>flags<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
my_flags <span class="sign">=</span> flags
<span class="keyword">else</span>
my_flags <span class="sign">=</span> etsf_geometry_all
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="comment">! Consistency checks.</span>
<span class="keyword">if</span> <span class="sign">(</span>my_flags <span class="sign"><</span> etsf_geometry_none <span class="sign">.</span><span class="keyword">or</span><span class="sign">.</span> my_flags <span class="sign">></span> etsf_geometry_all<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo72">etsf_io_low_error_set</a><span class="sign">(</span>error_data<span class="sign">,</span> ERROR_MODE_DEF<span class="sign">,</span> ERROR_TYPE_ARG<span class="sign">,</span> my_name<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> tgtname <span class="sign">=</span> <span class="quote">"flags"</span><span class="sign">,</span> errmess <span class="sign">=</span> <span class="quote">"value out of bounds"</span><span class="sign">)</span>
lstat <span class="sign">=</span> <span class="sign">.</span><span class="keyword">false</span><span class="sign">.</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">iand</span><span class="sign">(</span>my_flags<span class="sign">,</span> etsf_geometry_space_group<span class="sign">)</span> <span class="sign">/</span><span class="sign">=</span> 0<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo67">etsf_io_low_def_var</a><span class="sign">(</span>ncid<span class="sign">,</span> <span class="quote">"space_group"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> etsf_io_low_integer<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> lstat<span class="sign">,</span> ncvarid <span class="sign">=</span> ivar<span class="sign">,</span> error_data <span class="sign">=</span> error_data<span class="sign">)</span>
<span class="comment">! We raise don't raise an error if a dimension is missing.</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="sign">.</span><span class="keyword">not</span><span class="sign">.</span> lstat <span class="sign">.</span><span class="keyword">and</span><span class="sign">.</span> <span class="sign">(</span>error_data<span class="sign">%</span>access_mode_id <span class="sign">/</span><span class="sign">=</span> ERROR_MODE_INQ <span class="sign">.</span><span class="keyword">or</span><span class="sign">.</span> <span class="sign">&</span>
<span class="sign">&</span> error_data<span class="sign">%</span>target_type_id <span class="sign">/</span><span class="sign">=</span> ERROR_TYPE_DID<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo74">etsf_io_low_error_update</a><span class="sign">(</span>error_data<span class="sign">,</span> my_name<span class="sign">)</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">iand</span><span class="sign">(</span>my_flags<span class="sign">,</span> etsf_geometry_primitive_vectors<span class="sign">)</span> <span class="sign">/</span><span class="sign">=</span> 0<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo67">etsf_io_low_def_var</a><span class="sign">(</span>ncid<span class="sign">,</span> <span class="quote">"primitive_vectors"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> etsf_io_low_double<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <span class="sign">(</span><span class="sign">/</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_cartesian_directions"</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_vectors"</span><span class="sign">)</span> <span class="sign">/</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> lstat<span class="sign">,</span> ncvarid <span class="sign">=</span> ivar<span class="sign">,</span> error_data <span class="sign">=</span> error_data<span class="sign">)</span>
<span class="comment">! We raise don't raise an error if a dimension is missing.</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="sign">.</span><span class="keyword">not</span><span class="sign">.</span> lstat <span class="sign">.</span><span class="keyword">and</span><span class="sign">.</span> <span class="sign">(</span>error_data<span class="sign">%</span>access_mode_id <span class="sign">/</span><span class="sign">=</span> ERROR_MODE_INQ <span class="sign">.</span><span class="keyword">or</span><span class="sign">.</span> <span class="sign">&</span>
<span class="sign">&</span> error_data<span class="sign">%</span>target_type_id <span class="sign">/</span><span class="sign">=</span> ERROR_TYPE_DID<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo74">etsf_io_low_error_update</a><span class="sign">(</span>error_data<span class="sign">,</span> my_name<span class="sign">)</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">iand</span><span class="sign">(</span>my_flags<span class="sign">,</span> etsf_geometry_red_sym_matrices<span class="sign">)</span> <span class="sign">/</span><span class="sign">=</span> 0<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo67">etsf_io_low_def_var</a><span class="sign">(</span>ncid<span class="sign">,</span> <span class="quote">"reduced_symmetry_matrices"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> etsf_io_low_integer<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <span class="sign">(</span><span class="sign">/</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_reduced_dimensions"</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_reduced_dimensions"</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_symmetry_operations"</span><span class="sign">)</span> <span class="sign">/</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> lstat<span class="sign">,</span> ncvarid <span class="sign">=</span> ivar<span class="sign">,</span> error_data <span class="sign">=</span> error_data<span class="sign">)</span>
<span class="comment">! We raise don't raise an error if a dimension is missing.</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="sign">.</span><span class="keyword">not</span><span class="sign">.</span> lstat <span class="sign">.</span><span class="keyword">and</span><span class="sign">.</span> <span class="sign">(</span>error_data<span class="sign">%</span>access_mode_id <span class="sign">/</span><span class="sign">=</span> ERROR_MODE_INQ <span class="sign">.</span><span class="keyword">or</span><span class="sign">.</span> <span class="sign">&</span>
<span class="sign">&</span> error_data<span class="sign">%</span>target_type_id <span class="sign">/</span><span class="sign">=</span> ERROR_TYPE_DID<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo74">etsf_io_low_error_update</a><span class="sign">(</span>error_data<span class="sign">,</span> my_name<span class="sign">)</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span>ivar <span class="sign">></span><span class="sign">=</span> 0<span class="sign">)</span> <span class="keyword">then</span>
<span class="comment">! Handle the symmorphic attribute.</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo96">etsf_io_low_write_att</a><span class="sign">(</span>ncid<span class="sign">,</span> ivar<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <span class="quote">"symmorphic"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <span class="quote">"yes"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> lstat<span class="sign">,</span> error_data <span class="sign">=</span> error_data<span class="sign">)</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="sign">.</span><span class="keyword">not</span><span class="sign">.</span> lstat<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo74">etsf_io_low_error_update</a><span class="sign">(</span>error_data<span class="sign">,</span> my_name<span class="sign">)</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">iand</span><span class="sign">(</span>my_flags<span class="sign">,</span> etsf_geometry_red_sym_trans<span class="sign">)</span> <span class="sign">/</span><span class="sign">=</span> 0<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo67">etsf_io_low_def_var</a><span class="sign">(</span>ncid<span class="sign">,</span> <span class="quote">"reduced_symmetry_translations"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> etsf_io_low_double<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <span class="sign">(</span><span class="sign">/</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_reduced_dimensions"</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_symmetry_operations"</span><span class="sign">)</span> <span class="sign">/</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> lstat<span class="sign">,</span> ncvarid <span class="sign">=</span> ivar<span class="sign">,</span> error_data <span class="sign">=</span> error_data<span class="sign">)</span>
<span class="comment">! We raise don't raise an error if a dimension is missing.</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="sign">.</span><span class="keyword">not</span><span class="sign">.</span> lstat <span class="sign">.</span><span class="keyword">and</span><span class="sign">.</span> <span class="sign">(</span>error_data<span class="sign">%</span>access_mode_id <span class="sign">/</span><span class="sign">=</span> ERROR_MODE_INQ <span class="sign">.</span><span class="keyword">or</span><span class="sign">.</span> <span class="sign">&</span>
<span class="sign">&</span> error_data<span class="sign">%</span>target_type_id <span class="sign">/</span><span class="sign">=</span> ERROR_TYPE_DID<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo74">etsf_io_low_error_update</a><span class="sign">(</span>error_data<span class="sign">,</span> my_name<span class="sign">)</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">iand</span><span class="sign">(</span>my_flags<span class="sign">,</span> etsf_geometry_atom_species<span class="sign">)</span> <span class="sign">/</span><span class="sign">=</span> 0<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo67">etsf_io_low_def_var</a><span class="sign">(</span>ncid<span class="sign">,</span> <span class="quote">"atom_species"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> etsf_io_low_integer<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <span class="sign">(</span><span class="sign">/</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_atoms"</span><span class="sign">)</span> <span class="sign">/</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> lstat<span class="sign">,</span> ncvarid <span class="sign">=</span> ivar<span class="sign">,</span> error_data <span class="sign">=</span> error_data<span class="sign">)</span>
<span class="comment">! We raise don't raise an error if a dimension is missing.</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="sign">.</span><span class="keyword">not</span><span class="sign">.</span> lstat <span class="sign">.</span><span class="keyword">and</span><span class="sign">.</span> <span class="sign">(</span>error_data<span class="sign">%</span>access_mode_id <span class="sign">/</span><span class="sign">=</span> ERROR_MODE_INQ <span class="sign">.</span><span class="keyword">or</span><span class="sign">.</span> <span class="sign">&</span>
<span class="sign">&</span> error_data<span class="sign">%</span>target_type_id <span class="sign">/</span><span class="sign">=</span> ERROR_TYPE_DID<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo74">etsf_io_low_error_update</a><span class="sign">(</span>error_data<span class="sign">,</span> my_name<span class="sign">)</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">iand</span><span class="sign">(</span>my_flags<span class="sign">,</span> etsf_geometry_red_at_pos<span class="sign">)</span> <span class="sign">/</span><span class="sign">=</span> 0<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo67">etsf_io_low_def_var</a><span class="sign">(</span>ncid<span class="sign">,</span> <span class="quote">"reduced_atom_positions"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> etsf_io_low_double<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <span class="sign">(</span><span class="sign">/</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_reduced_dimensions"</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_atoms"</span><span class="sign">)</span> <span class="sign">/</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> lstat<span class="sign">,</span> ncvarid <span class="sign">=</span> ivar<span class="sign">,</span> error_data <span class="sign">=</span> error_data<span class="sign">)</span>
<span class="comment">! We raise don't raise an error if a dimension is missing.</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="sign">.</span><span class="keyword">not</span><span class="sign">.</span> lstat <span class="sign">.</span><span class="keyword">and</span><span class="sign">.</span> <span class="sign">(</span>error_data<span class="sign">%</span>access_mode_id <span class="sign">/</span><span class="sign">=</span> ERROR_MODE_INQ <span class="sign">.</span><span class="keyword">or</span><span class="sign">.</span> <span class="sign">&</span>
<span class="sign">&</span> error_data<span class="sign">%</span>target_type_id <span class="sign">/</span><span class="sign">=</span> ERROR_TYPE_DID<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo74">etsf_io_low_error_update</a><span class="sign">(</span>error_data<span class="sign">,</span> my_name<span class="sign">)</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">iand</span><span class="sign">(</span>my_flags<span class="sign">,</span> etsf_geometry_valence_charges<span class="sign">)</span> <span class="sign">/</span><span class="sign">=</span> 0<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo67">etsf_io_low_def_var</a><span class="sign">(</span>ncid<span class="sign">,</span> <span class="quote">"valence_charges"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> etsf_io_low_double<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <span class="sign">(</span><span class="sign">/</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_atom_species"</span><span class="sign">)</span> <span class="sign">/</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> lstat<span class="sign">,</span> ncvarid <span class="sign">=</span> ivar<span class="sign">,</span> error_data <span class="sign">=</span> error_data<span class="sign">)</span>
<span class="comment">! We raise don't raise an error if a dimension is missing.</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="sign">.</span><span class="keyword">not</span><span class="sign">.</span> lstat <span class="sign">.</span><span class="keyword">and</span><span class="sign">.</span> <span class="sign">(</span>error_data<span class="sign">%</span>access_mode_id <span class="sign">/</span><span class="sign">=</span> ERROR_MODE_INQ <span class="sign">.</span><span class="keyword">or</span><span class="sign">.</span> <span class="sign">&</span>
<span class="sign">&</span> error_data<span class="sign">%</span>target_type_id <span class="sign">/</span><span class="sign">=</span> ERROR_TYPE_DID<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo74">etsf_io_low_error_update</a><span class="sign">(</span>error_data<span class="sign">,</span> my_name<span class="sign">)</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">iand</span><span class="sign">(</span>my_flags<span class="sign">,</span> etsf_geometry_atomic_numbers<span class="sign">)</span> <span class="sign">/</span><span class="sign">=</span> 0<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo67">etsf_io_low_def_var</a><span class="sign">(</span>ncid<span class="sign">,</span> <span class="quote">"atomic_numbers"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> etsf_io_low_double<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <span class="sign">(</span><span class="sign">/</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_atom_species"</span><span class="sign">)</span> <span class="sign">/</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> lstat<span class="sign">,</span> ncvarid <span class="sign">=</span> ivar<span class="sign">,</span> error_data <span class="sign">=</span> error_data<span class="sign">)</span>
<span class="comment">! We raise don't raise an error if a dimension is missing.</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="sign">.</span><span class="keyword">not</span><span class="sign">.</span> lstat <span class="sign">.</span><span class="keyword">and</span><span class="sign">.</span> <span class="sign">(</span>error_data<span class="sign">%</span>access_mode_id <span class="sign">/</span><span class="sign">=</span> ERROR_MODE_INQ <span class="sign">.</span><span class="keyword">or</span><span class="sign">.</span> <span class="sign">&</span>
<span class="sign">&</span> error_data<span class="sign">%</span>target_type_id <span class="sign">/</span><span class="sign">=</span> ERROR_TYPE_DID<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo74">etsf_io_low_error_update</a><span class="sign">(</span>error_data<span class="sign">,</span> my_name<span class="sign">)</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">iand</span><span class="sign">(</span>my_flags<span class="sign">,</span> etsf_geometry_atom_species_names<span class="sign">)</span> <span class="sign">/</span><span class="sign">=</span> 0<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo67">etsf_io_low_def_var</a><span class="sign">(</span>ncid<span class="sign">,</span> <span class="quote">"atom_species_names"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> etsf_io_low_character<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <span class="sign">(</span><span class="sign">/</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"character_string_length"</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_atom_species"</span><span class="sign">)</span> <span class="sign">/</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> lstat<span class="sign">,</span> ncvarid <span class="sign">=</span> ivar<span class="sign">,</span> error_data <span class="sign">=</span> error_data<span class="sign">)</span>
<span class="comment">! We raise don't raise an error if a dimension is missing.</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="sign">.</span><span class="keyword">not</span><span class="sign">.</span> lstat <span class="sign">.</span><span class="keyword">and</span><span class="sign">.</span> <span class="sign">(</span>error_data<span class="sign">%</span>access_mode_id <span class="sign">/</span><span class="sign">=</span> ERROR_MODE_INQ <span class="sign">.</span><span class="keyword">or</span><span class="sign">.</span> <span class="sign">&</span>
<span class="sign">&</span> error_data<span class="sign">%</span>target_type_id <span class="sign">/</span><span class="sign">=</span> ERROR_TYPE_DID<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo74">etsf_io_low_error_update</a><span class="sign">(</span>error_data<span class="sign">,</span> my_name<span class="sign">)</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">iand</span><span class="sign">(</span>my_flags<span class="sign">,</span> etsf_geometry_chemical_symbols<span class="sign">)</span> <span class="sign">/</span><span class="sign">=</span> 0<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo67">etsf_io_low_def_var</a><span class="sign">(</span>ncid<span class="sign">,</span> <span class="quote">"chemical_symbols"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> etsf_io_low_character<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <span class="sign">(</span><span class="sign">/</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"symbol_length"</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_atom_species"</span><span class="sign">)</span> <span class="sign">/</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> lstat<span class="sign">,</span> ncvarid <span class="sign">=</span> ivar<span class="sign">,</span> error_data <span class="sign">=</span> error_data<span class="sign">)</span>
<span class="comment">! We raise don't raise an error if a dimension is missing.</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="sign">.</span><span class="keyword">not</span><span class="sign">.</span> lstat <span class="sign">.</span><span class="keyword">and</span><span class="sign">.</span> <span class="sign">(</span>error_data<span class="sign">%</span>access_mode_id <span class="sign">/</span><span class="sign">=</span> ERROR_MODE_INQ <span class="sign">.</span><span class="keyword">or</span><span class="sign">.</span> <span class="sign">&</span>
<span class="sign">&</span> error_data<span class="sign">%</span>target_type_id <span class="sign">/</span><span class="sign">=</span> ERROR_TYPE_DID<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo74">etsf_io_low_error_update</a><span class="sign">(</span>error_data<span class="sign">,</span> my_name<span class="sign">)</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="keyword">iand</span><span class="sign">(</span>my_flags<span class="sign">,</span> etsf_geometry_pseudo_types<span class="sign">)</span> <span class="sign">/</span><span class="sign">=</span> 0<span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo67">etsf_io_low_def_var</a><span class="sign">(</span>ncid<span class="sign">,</span> <span class="quote">"pseudopotential_types"</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> etsf_io_low_character<span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <span class="sign">(</span><span class="sign">/</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"character_string_length"</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> <a href="../low_level/etsf_io_low_level_f90.html#robo130">pad</a><span class="sign">(</span><span class="quote">"number_of_atom_species"</span><span class="sign">)</span> <span class="sign">/</span><span class="sign">)</span><span class="sign">,</span> <span class="sign">&</span>
<span class="sign">&</span> lstat<span class="sign">,</span> ncvarid <span class="sign">=</span> ivar<span class="sign">,</span> error_data <span class="sign">=</span> error_data<span class="sign">)</span>
<span class="comment">! We raise don't raise an error if a dimension is missing.</span>
<span class="keyword">if</span> <span class="sign">(</span><span class="sign">.</span><span class="keyword">not</span><span class="sign">.</span> lstat <span class="sign">.</span><span class="keyword">and</span><span class="sign">.</span> <span class="sign">(</span>error_data<span class="sign">%</span>access_mode_id <span class="sign">/</span><span class="sign">=</span> ERROR_MODE_INQ <span class="sign">.</span><span class="keyword">or</span><span class="sign">.</span> <span class="sign">&</span>
<span class="sign">&</span> error_data<span class="sign">%</span>target_type_id <span class="sign">/</span><span class="sign">=</span> ERROR_TYPE_DID<span class="sign">)</span><span class="sign">)</span> <span class="keyword">then</span>
<span class="keyword">call</span> <a href="../low_level/etsf_io_low_level_f90.html#robo74">etsf_io_low_error_update</a><span class="sign">(</span>error_data<span class="sign">,</span> my_name<span class="sign">)</span>
<span class="keyword">return</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="keyword">end</span> <span class="keyword">if</span>
<span class="comment">! If we reach the end, then it should be OK.</span>
lstat <span class="sign">=</span> <span class="sign">.</span><span class="keyword">true</span><span class="sign">.</span>
<span class="comment">!DEBUG</span>
<span class="comment">!write (*,*) '<strong>etsf_io_geometry_def</strong> : exit'</span>
<span class="comment">!ENDDEBUG</span>
<span class="keyword">end</span> <span class="keyword">subroutine</span> <strong>etsf_io_geometry_def</strong>
</pre>
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