Miguel Caro at 13:58, 20 July 2017

2017-07-20T13:58:30Z

Miguel Caro: Created page with "The `points` keyword is a '''required''' keyword in the `input` file. It takes 1 argument, the number of MD snapshots to be read from the trajector..."

2017-07-20T13:55:48Z

Created page with "The <code>points</code> keyword is a '''required''' keyword in the <code>input</code> file. It takes 1 argument, the number of MD snapshots to be read from the trajector..."

New page

The <code>points</code> keyword is a '''required''' keyword in the <code>[[input]]</code> file. It takes 1 argument, the number of MD snapshots to be read from the [[trajectory file]]. Example:

points = 20000

<code>points</code> needs to be consistent with <code>[[tau]]</code>, in such a way that the time step is given by <code>tau</code>/<code>points</code>. Note that <code>points</code> can be smaller or equal to the total number of snapshots in the [[trajectory file]]. If it is smaller, the first <code>points</code> snapshots will be read in, and the rest will be ignored. This is useful for testing purposes, where one can quickly read and analyze only part of the [[trajectory file]]. Note that you still need to adjust <code>[[tau]]</code> so that the time step remains correct.

← Older revision		Revision as of 13:58, 20 July 2017
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−	The <code>points</code> keyword is a '''required''' keyword in the <code>[[input]]</code> file. It takes 1 argument, the number of MD snapshots to be read from the [[trajectory file]]. Example:	+	The <code>points</code> keyword is a '''required''' keyword in the <code>[[input]]</code> file. It takes 1 argument, the number of MD snapshots to be read from the [[trajectory file]].
		+
		+	<code>points</code> needs to be consistent with <code>[[tau]]</code>, in such a way that the time step is given by <code>tau</code>/<code>points</code>. Note that <code>points</code> can be smaller or equal to the total number of snapshots in the [[trajectory file]]. If it is smaller, the first <code>points</code> snapshots will be read in, and the rest will be ignored. This is useful for testing purposes, where one can quickly read and analyze only part of the [[trajectory file]]. Note that you still need to adjust <code>[[tau]]</code> so that the time step remains correct.
		+
		+	=== Summary ===
		+
		+	{\| class="wikitable"
		+	\|+ Summary for <code>points</code> keyword
		+	! style="text-align:left;"\| Required/optional
		+	! style="text-align:left;"\| Type
		+	! style="text-align:left;"\| Accepted values
		+	! style="text-align:left;"\| Default
		+	! style="text-align:left;"\| See also
		+	\|-
		+	\| Required
		+	\| Integer
		+	\| Any positive integer
		+	\| n/a
		+	\| [[Input file]], [[trajectory file]]
		+	\|}
		+
		+	=== Example ===

	points = 20000		points = 20000
−
−	<code>points</code> needs to be consistent with <code>[[tau]]</code>, in such a way that the time step is given by <code>tau</code>/<code>points</code>. Note that <code>points</code> can be smaller or equal to the total number of snapshots in the [[trajectory file]]. If it is smaller, the first <code>points</code> snapshots will be read in, and the rest will be ignored. This is useful for testing purposes, where one can quickly read and analyze only part of the [[trajectory file]]. Note that you still need to adjust <code>[[tau]]</code> so that the time step remains correct.

Points - Revision history

Miguel Caro at 13:58, 20 July 2017

Miguel Caro: Created page with "The points keyword is a '''required''' keyword in the input file. It takes 1 argument, the number of MD snapshots to be read from the trajector..."

Miguel Caro: Created page with "The `points` keyword is a '''required''' keyword in the `input` file. It takes 1 argument, the number of MD snapshots to be read from the trajector..."