ML HEAT - Revision history

Wolloch at 08:23, 17 April 2025

2025-04-17T08:23:17Z

← Older revision		Revision as of 08:23, 17 April 2025
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	{{DISPLAYTITLE:ML_HEAT}}		{{DISPLAYTITLE:ML_HEAT}}
	This file contains the local heat flux at every MD step. This file is only written if {{TAG\|ML_LHEAT}}='''.TRUE.'''.		This file contains the local heat flux at every MD step in units of <math>\mathrm{ eV \, \AA / fs}</math>. This file is only written if {{TAG\|ML_LHEAT}}='''.TRUE.'''.

	A sample output should look like the following:		A sample output should look like the following:

2025-03-07T13:36:15Z

← Older revision		Revision as of 13:36, 7 March 2025
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	----		----

	[[Category:Files]][[Category:Machine-learned force fields]][[Category:Output ~~Files~~]]		[[Category:Files]][[Category:Machine-learned force fields]][[Category:Output files]]

2022-04-08T13:23:04Z

← Older revision		Revision as of 13:23, 8 April 2022
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	----		----

	[[Category:Files]][[Category:Machine ~~Learning]][[Category:Machine Learned Force Fields~~]][[Category:Output Files]]		[[Category:Files]][[Category:Machine-learned force fields]][[Category:Output Files]]

2022-04-07T07:24:46Z

← Older revision		Revision as of 07:24, 7 April 2022
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			{{DISPLAYTITLE:ML_HEAT}}
	This file contains the local heat flux at every MD step. This file is only written if {{TAG\|ML_LHEAT}}='''.TRUE.'''.		This file contains the local heat flux at every MD step. This file is only written if {{TAG\|ML_LHEAT}}='''.TRUE.'''.

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	----		----

	[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files~~]][[Category:Alpha~~]]		[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]]

2021-08-23T08:25:57Z

← Older revision		Revision as of 08:25, 23 August 2021
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	This file contains the local heat flux at every MD step. This file is only written if {{TAG\|~~ML_FF_LHEAT_MB~~}}='''.TRUE.'''.		This file contains the local heat flux at every MD step. This file is only written if {{TAG\|ML_LHEAT}}='''.TRUE.'''.

	A sample output should look like the following:		A sample output should look like the following:

2021-06-12T09:53:02Z

@@ Line 1: / Line 1: @@
-This file contains the local heat flux in three directions at every MD step. This file is only written if {{TAG|ML_FF_LHEAT_MB}}='''.TRUE.'''.
+This file contains the local heat flux at every MD step. This file is only written if {{TAG|ML_FF_LHEAT_MB}}='''.TRUE.'''.
 ----
 [[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]][[Category:Alpha]]

2020-02-26T15:13:27Z

← Older revision		Revision as of 15:13, 26 February 2020
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	----		----

	[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]]		[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]][[Category:Alpha]]

2020-02-26T15:13:00Z

← Older revision		Revision as of 15:13, 26 February 2020
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			This file contains the local heat flux in three directions at every MD step. This file is only written if {{TAG\|ML_FF_LHEAT_MB}}='''.TRUE.'''.

	----		----

	[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]]		[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]]

2020-01-30T11:06:33Z

← Older revision		Revision as of 11:06, 30 January 2020
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	----		----

	[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files~~]][[Category:VASP6~~]]		[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]]

2019-05-23T16:46:27Z

New page

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[[Category:Files]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:Output Files]][[Category:VASP6]]