https://sourceforge.net/p/paracell/wiki/grid-based/Recent changes to grid-basedenWed, 14 Oct 2020 13:21:35 -0000https://sourceforge.net/p/paracell/wiki/grid-based/<div class="markdown_content"><h5 id="settings-for-grid-based-methods">Settings for GRID-based methods</h5> <p><strong>STEPS</strong> = the number of steps in all dimensions for GRID-based methods <br/> <strong>STEP1</strong>= the number of steps in the dimension a<br/> <strong>STEP2</strong>= the number of steps in the dimension b<br/> <strong>STEP3</strong>= the number of steps in the dimension c<br/> <strong>STEP4</strong>= the number of steps in the dimension alpha<br/> <strong>STEP5</strong>= the number of steps in the dimension beta<br/> <strong>STEP6</strong>= the number of steps in the dimension gamma<br/> (default value is STEPS)</p> <p>Configurations in GRID1 are searched as arithmetic sequence, steps should be close to 0.0:<br/> Configurations in GRID2 and GRID3 are searched as geometric sequence (so steps should be close to 1.0), <br/> Exceptions:<br/> <em> monoclinic and GRID1 for parameter beta<br/> </em> monoclinic and GRID2 for parameter a12 <br/> * triclinic and method GRID2 parameters alpha, beta, gamma</p> <p><strong>DELTA_LATTICE</strong>=step in dimensions <em>a,b,c</em> only for GRID1<br/> <strong>DELTA_ANGLE</strong>=step in dimensions <em>alpha, beta, gamma</em> only for GRID1</p></div>Ivan ŠimečekWed, 14 Oct 2020 13:21:35 -0000https://sourceforge.net774ec0386099a231e315743367566f2efaa23521