Adaptive time - Revision history

Uttiyo at 18:16, 2 October 2023

2023-10-02T18:16:21Z

2023-09-26T14:01:31Z

2023-09-26T10:49:54Z

Example

2023-09-26T10:47:52Z

Example

2023-09-26T10:46:23Z

Example

2023-09-26T10:45:52Z

Example

2023-09-26T10:43:41Z

2023-09-26T10:41:54Z

2023-09-26T10:41:20Z

2023-09-26T10:27:59Z

← Older revision		Revision as of 18:16, 2 October 2023
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−	<code>adaptive_time</code> sets the option for doing a simulation where the time-step has to be variable. This is typically invoked while simulating collision between energetic atoms. There are five input keywords for which values need to be provided if this calculation is invoked. These are as follows:	+	<code>adaptive_time</code> sets the option for doing a simulation where the time-step has to be variable. This is typically invoked while simulating collision between energetic atoms so that trajectories of atoms can be observed in details and energy conservation can be ensured. There are five input keywords for which values need to be provided if this calculation is invoked. These are as follows:

	<code>adapt_tstep_interval</code>, <code>adapt_tmin</code>, <code>adapt_tmax</code>, <code>adapt_xmax</code>, <code>adapt_emax</code>.		<code>adapt_tstep_interval</code>, <code>adapt_tmin</code>, <code>adapt_tmax</code>, <code>adapt_xmax</code>, <code>adapt_emax</code>.

← Older revision		Revision as of 14:01, 26 September 2023
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−	<code>adaptive_time</code> sets the option for doing a simulation where the time-step has to be variable. This is typically invoked while simulating collision between energetic atoms. There are ~~four~~ input keywords for which values need to be provided if this calculation is invoked. These are as follows:	+	<code>adaptive_time</code> sets the option for doing a simulation where the time-step has to be variable. This is typically invoked while simulating collision between energetic atoms. There are five input keywords for which values need to be provided if this calculation is invoked. These are as follows:

	<code>adapt_tstep_interval</code>, <code>adapt_tmin</code>, <code>adapt_tmax</code>, <code>adapt_xmax</code>, <code>adapt_emax</code>.		<code>adapt_tstep_interval</code>, <code>adapt_tmin</code>, <code>adapt_tmax</code>, <code>adapt_xmax</code>, <code>adapt_emax</code>.

@@ Line 26: / Line 26: @@
   adaptive_time = .true.
   adapt_tstep_interval = 1
-  adapt_tmin = 1.0E-07
+  adapt_tmin = 1.0E-07  ! in fs
-  adapt_tmax = 1.0E-01
+  adapt_tmax = 1.0E-01  ! in fs
-  adapt_xmax = 1.0e-3
+  adapt_xmax = 1.0e-3   ! in angstrom
-  adapt_emax = 50.0
+  adapt_emax = 50.0     ! in eV

@@ Line 24: / Line 24: @@
 === Example ===
-  [[adaptive_time]] = .true.
+  adaptive_time = .true.
-  [[adapt_tstep_interval]] = 1
+  adapt_tstep_interval = 1
-  [[adapt_tmin]] = 1.0E-07
+  adapt_tmin = 1.0E-07
-  [[adapt_tmax]] = 1.0E-01
+  adapt_tmax = 1.0E-01
-  [[adapt_xmax]] = 1.0e-3
+  adapt_xmax = 1.0e-3
-  [[adapt_emax]] = 50.0
+  adapt_emax = 50.0

@@ Line 24: / Line 24: @@
 === Example ===
-[[adaptive_time]] = .true.
+ [[adaptive_time]] = .true.
-[[adapt_tstep_interval]] = 1
+ [[adapt_tstep_interval]] = 1
-[[adapt_tmin]] = 1.0E-07
+ [[adapt_tmin]] = 1.0E-07
-[[adapt_tmax]] = 1.0E-01
+ [[adapt_tmax]] = 1.0E-01
-[[adapt_xmax]] = 1.0e-3
+ [[adapt_xmax]] = 1.0e-3
-[[adapt_emax]] = 50.0
+ [[adapt_emax]] = 50.0

@@ Line 1: / Line 1: @@
-<code>[[adaptive_time]]</code> sets the option for doing a simulation where the time-step has to be variable. This is typically invoked while simulating collision between energetic atoms. There are four input keywords for which values need to be provided if this calculation is invoked. These are as follows:
+<code>adaptive_time</code> sets the option for doing a simulation where the time-step has to be variable. This is typically invoked while simulating collision between energetic atoms. There are four input keywords for which values need to be provided if this calculation is invoked. These are as follows:
-<code>adapt_tstep_interval</code>, <code>[[adapt_tmin]]</code>, <code>[[adapt_tmax]]</code>, <code>[[adapt_xmax]]</code>, <code>[[adapt_emax]]</code>.
+<code>adapt_tstep_interval</code>, <code>adapt_tmin</code>, <code>adapt_tmax</code>, <code>adapt_xmax</code>, <code>adapt_emax</code>.
 === Summary ===
@@ Line 24: / Line 24: @@
 === Example ===
-adaptive_time = .true.
+adaptive_time = .true.;
-adapt_tstep_interval = 1
+adapt_tstep_interval = 1;
-adapt_tmin = 1.0E-07
+adapt_tmin = 1.0E-07;
-adapt_tmax = 1.0E-01
+adapt_tmax = 1.0E-01;
-adapt_xmax = 1.0e-3
+adapt_xmax = 1.0e-3;
-adapt_emax = 50.0
+adapt_emax = 50.0;

@@ Line 13: / Line 13: @@
 | Boolean
 | <code>.true.</code> or <code>.false.</code>
-| <code>".false"</code>
+| <code>.false.</code>
 | <code>[[adapt_tstep_interval]]</code>, <code>[[adapt_tmin]]</code>, <code>[[adapt_tmax]]</code>, <code>[[adapt_xmax]]</code>, <code>[[adapt_emax]]</code>
 | Required functionality for simulating collision cascades
 |}