Deploying to gh-pages from @ b5be22b 🚀

Author: gbayarri

coverage/coverage.xml

@@ -1,5 +1,5 @@
 <?xml version="1.0" ?>
-<coverage version="7.14.0" timestamp="1778854807900" lines-valid="413" lines-covered="314" line-rate="0.7603" branches-covered="0" branches-valid="0" branch-rate="0" complexity="0">
+<coverage version="7.14.0" timestamp="1778854818940" lines-valid="413" lines-covered="314" line-rate="0.7603" branches-covered="0" branches-valid="0" branch-rate="0" complexity="0">
 	<!-- Generated by coverage.py: https://coverage.readthedocs.io/en/7.14.0 -->
 	<!-- Based on https://raw.githubusercontent.com/cobertura/web/master/htdocs/xml/coverage-04.dtd -->
 	<sources>

coverage/z_d3f8250a0d9fde9f_cp2k_prep_py.html

@@ -304,9 +304,9 @@ <h2>
     <p class="run"><span class="n"><a id="t222" href="#t222">222</a></span><span class="t">        <span class="nam">box_y</span> <span class="op">=</span> <span class="nam">float</span><span class="op">(</span><span class="nam">max_y</span><span class="op">)</span> <span class="op">-</span> <span class="nam">float</span><span class="op">(</span><span class="nam">min_y</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
     <p class="run"><span class="n"><a id="t223" href="#t223">223</a></span><span class="t">        <span class="nam">box_z</span> <span class="op">=</span> <span class="nam">float</span><span class="op">(</span><span class="nam">max_z</span><span class="op">)</span> <span class="op">-</span> <span class="nam">float</span><span class="op">(</span><span class="nam">min_z</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
     <p class="pln"><span class="n"><a id="t224" href="#t224">224</a></span><span class="t">&nbsp;</span><span class="r"></span></p>
-    <p class="run"><span class="n"><a id="t225" href="#t225">225</a></span><span class="t">        <span class="nam">box_x</span> <span class="op">=</span> <span class="nam">float</span><span class="op">(</span><span class="fst">f'</span><span class="op">{</span><span class="nam">box_x</span><span class="op">:</span><span class="fst">.3f</span><span class="op">}</span><span class="fst">'</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
-    <p class="run"><span class="n"><a id="t226" href="#t226">226</a></span><span class="t">        <span class="nam">box_y</span> <span class="op">=</span> <span class="nam">float</span><span class="op">(</span><span class="fst">f'</span><span class="op">{</span><span class="nam">box_y</span><span class="op">:</span><span class="fst">.3f</span><span class="op">}</span><span class="fst">'</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
-    <p class="run"><span class="n"><a id="t227" href="#t227">227</a></span><span class="t">        <span class="nam">box_z</span> <span class="op">=</span> <span class="nam">float</span><span class="op">(</span><span class="fst">f'</span><span class="op">{</span><span class="nam">box_z</span><span class="op">:</span><span class="fst">.3f</span><span class="op">}</span><span class="fst">'</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
+    <p class="run"><span class="n"><a id="t225" href="#t225">225</a></span><span class="t">        <span class="nam">box_x</span> <span class="op">=</span> <span class="nam">float</span><span class="op">(</span><span class="str">f'{box_x:.3f}'</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
+    <p class="run"><span class="n"><a id="t226" href="#t226">226</a></span><span class="t">        <span class="nam">box_y</span> <span class="op">=</span> <span class="nam">float</span><span class="op">(</span><span class="str">f'{box_y:.3f}'</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
+    <p class="run"><span class="n"><a id="t227" href="#t227">227</a></span><span class="t">        <span class="nam">box_z</span> <span class="op">=</span> <span class="nam">float</span><span class="op">(</span><span class="str">f'{box_z:.3f}'</span><span class="op">)</span>&nbsp;</span><span class="r"></span></p>
     <p class="pln"><span class="n"><a id="t228" href="#t228">228</a></span><span class="t">&nbsp;</span><span class="r"></span></p>
     <p class="run"><span class="n"><a id="t229" href="#t229">229</a></span><span class="t">        <span class="nam">box_x</span> <span class="op">=</span> <span class="nam">box_x</span> <span class="op">+</span> <span class="nam">self</span><span class="op">.</span><span class="nam">cell_cutoff</span>&nbsp;</span><span class="r"></span></p>
     <p class="run"><span class="n"><a id="t230" href="#t230">230</a></span><span class="t">        <span class="nam">box_y</span> <span class="op">=</span> <span class="nam">box_y</span> <span class="op">+</span> <span class="nam">self</span><span class="op">.</span><span class="nam">cell_cutoff</span>&nbsp;</span><span class="r"></span></p>

junit/junit.xml

@@ -1 +1 @@
-<?xml version="1.0" encoding="utf-8"?><testsuites name="pytest tests"><testsuite name="pytest" errors="0" failures="0" skipped="0" tests="2" time="3819.730" timestamp="2026-05-15T13:16:27.290958+00:00" hostname="ghr_stack_gh_runner"><testcase classname="biobb_cp2k.test.unitests.test_cp2k.test_cp2k_prep.TestCp2kPrep" name="test_cp2k_prep" time="0.044" /><testcase classname="biobb_cp2k.test.unitests.test_cp2k.test_cp2k_run.TestCp2kRun" name="test_cp2k_run" time="3818.600" /></testsuite></testsuites>
+<?xml version="1.0" encoding="utf-8"?><testsuites name="pytest tests"><testsuite name="pytest" errors="0" failures="0" skipped="0" tests="2" time="3825.418" timestamp="2026-05-15T13:16:32.463192+00:00" hostname="ghr_stack_gh_runner"><testcase classname="biobb_cp2k.test.unitests.test_cp2k.test_cp2k_prep.TestCp2kPrep" name="test_cp2k_prep" time="0.071" /><testcase classname="biobb_cp2k.test.unitests.test_cp2k.test_cp2k_run.TestCp2kRun" name="test_cp2k_run" time="3824.438" /></testsuite></testsuites>