https://cyana.org/w/index.php?action=history&feed=atom&title=Gradient
Gradient - Revision history
2026-04-20T03:55:18Z
Revision history for this page on the wiki
MediaWiki 1.45.1
https://cyana.org/w/index.php?title=Gradient&diff=3741&oldid=prev
Admin: 1 revision
2009-01-28T18:18:39Z
<p>1 revision</p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<tr class="diff-title" lang="en">
<td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td>
<td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 20:18, 28 January 2009</td>
</tr><tr><td colspan="2" class="diff-notice" lang="en"><div class="mw-diff-empty">(No difference)</div>
</td></tr></table>
Admin
https://cyana.org/w/index.php?title=Gradient&diff=2939&oldid=prev
Admin: 1 revision
2009-01-28T18:12:27Z
<p>1 revision</p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<col class="diff-marker" />
<col class="diff-content" />
<col class="diff-marker" />
<col class="diff-content" />
<tr class="diff-title" lang="en">
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td>
<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 20:12, 28 January 2009</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l1">Line 1:</td>
<td colspan="2" class="diff-lineno">Line 1:</td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div> </div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">= gradient =</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"> </ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Parameters ==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Parameters ==</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br></td></tr>
</table>
Admin
https://cyana.org/w/index.php?title=Gradient&diff=2127&oldid=prev
Admin: 1 revision
2009-01-28T17:25:56Z
<p>1 revision</p>
<p><b>New page</b></p><div><br />
== Parameters ==<br />
<br />
; step=''real'': (default: 0.000001)<br />
; cutoff=''real'': (default: -1.0)<br />
<br />
== Description ==<br />
<br />
This function computes the gradient, i.e. the partial derivatives<br />
of the target function against the torsion angle, numerically and<br />
compares the result with the gradient computed by the (normal)<br />
analytic method. The numerical derivatives are calculated with the<br />
step size given by the '''step''' parameter, as well as by using a 10<br />
times smaller and a 10 times larger step size. The deviation of the<br />
analytical gradient from the three numerically calculated gradient<br />
values are reported for all torsion angles for which the maximal<br />
absolute deviation exceeds the value set by the '''cutoff''' parameter.<br />
<br />
This command is useful to check the analytical gradient calculation<br />
for correctness after a change of the target function and gradient<br />
calculation.</div>
Admin