ML LEATOM - Revision history

Karsai at 13:25, 8 April 2022

2022-04-08T13:25:36Z

← Older revision		Revision as of 13:25, 8 April 2022
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	[[Category:INCAR tag]][[Category:Machine ~~Learning]][[Category:Machine Learned Force Fields~~]]		[[Category:INCAR tag]][[Category:Machine-learned force fields]]

Karsai at 07:31, 7 April 2022

2022-04-07T07:31:01Z

← Older revision		Revision as of 07:31, 7 April 2022
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			{{DISPLAYTITLE:ML_LEATOM}}
	{{TAGDEF\|ML_LEATOM\|[logical]\|.FALSE.}}		{{TAGDEF\|ML_LEATOM\|[logical]\|.FALSE.}}

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	This tag specifies whether the total atomic energy (potential energy plus kinetic energy) for each MD step is written out to the {{TAG\|ML_EATOM}} file. It also writes the atomic positions and lattice parameters at every MD step to this file.		This tag specifies whether the total atomic energy (potential energy plus kinetic energy) for each MD step is written out to the {{TAG\|ML_EATOM}} file. It also writes the atomic positions and lattice parameters at every MD step to this file.

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|ML_LMLFF}}, {{TAG\|ML_WTOTEN}}		{{TAG\|ML_LMLFF}}, {{TAG\|ML_WTOTEN}}

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	[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields~~]][[Category: Alpha~~]]		[[Category:INCAR tag]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]

Karsai at 08:54, 23 August 2021

2021-08-23T08:54:31Z

← Older revision		Revision as of 08:54, 23 August 2021
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	{{TAGDEF\|~~ML_FF_LEATOM_MB~~\|[logical]\|.FALSE.}}		{{TAGDEF\|ML_LEATOM\|[logical]\|.FALSE.}}

	Description: This term specifies whether the total atomic energy is written out or not.		Description: This term specifies whether the total atomic energy is written out or not.
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	== Related Tags and Sections ==		== Related Tags and Sections ==
	{{TAG\|~~ML_FF_LMLFF~~}}, {{TAG\|~~ML_FF_WTOTEN~~}}		{{TAG\|ML_LMLFF}}, {{TAG\|ML_WTOTEN}}

	{{sc\|~~ML_FF_LEATOM_MB~~\|Examples\|Examples that use this tag}}		{{sc\|ML_LEATOM\|Examples\|Examples that use this tag}}
	----		----

	[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]		[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Karsai: Karsai moved page ML FF LEATOM MB to ML LEATOM

2021-08-23T06:43:10Z

Karsai moved page ML FF LEATOM MB to ML LEATOM

← Older revision	Revision as of 06:43, 23 August 2021
(No difference)

Karsai at 15:18, 29 February 2020

2020-02-29T15:18:36Z

← Older revision		Revision as of 15:18, 29 February 2020
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	----		----

	[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]		[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Karsai at 10:56, 30 January 2020

2020-01-30T10:56:39Z

← Older revision		Revision as of 10:56, 30 January 2020
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	[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields~~]][[Category:VASP6~~]]		[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]

Karsai at 12:21, 27 May 2019

2019-05-27T12:21:47Z

← Older revision		Revision as of 12:21, 27 May 2019
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	----		----

	This tag specifies whether the total atomic energy (potential energy plus kinetic energy) for each MD step is written out to the {{TAG\|~~ML_IATOM~~}} file. It also writes the atomic positions and lattice parameters at every MD step to this file.		This tag specifies whether the total atomic energy (potential energy plus kinetic energy) for each MD step is written out to the {{TAG\|ML_EATOM}} file. It also writes the atomic positions and lattice parameters at every MD step to this file.

	== Related Tags and Sections ==		== Related Tags and Sections ==

Karsai at 15:17, 13 May 2019

2019-05-13T15:17:19Z

← Older revision		Revision as of 15:17, 13 May 2019
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	{{TAGDEF\|ML_FF_LEATOM_MB\|[logical]\|.FALSE.}}		{{TAGDEF\|ML_FF_LEATOM_MB\|[logical]\|.FALSE.}}

	Description:		Description: This term specifies whether the total atomic energy is written out or not.
	----		----

			This tag specifies whether the total atomic energy (potential energy plus kinetic energy) for each MD step is written out to the {{TAG\|ML_IATOM}} file. It also writes the atomic positions and lattice parameters at every MD step to this file.

	== Related Tags and Sections ==		== Related Tags and Sections ==
			{{TAG\|ML_FF_LMLFF}}, {{TAG\|ML_FF_WTOTEN}}

	{{sc\|ML_FF_LEATOM_MB\|Examples\|Examples that use this tag}}		{{sc\|ML_FF_LEATOM_MB\|Examples\|Examples that use this tag}}
	----		----

	[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]		[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]]

Karsai: Created page with "{{TAGDEF|ML_FF_LEATOM_MB|[logical]|.FALSE.}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_LEATOM_MB|Examples|Examples that use this tag}} ---- Category:I..."

2019-05-09T08:36:47Z

Created page with "{{TAGDEF|ML_FF_LEATOM_MB|[logical]|.FALSE.}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_LEATOM_MB|Examples|Examples that use this tag}} ---- Category:I..."

New page

{{TAGDEF|ML_FF_LEATOM_MB|[logical]|.FALSE.}}

Description:
----

== Related Tags and Sections ==

{{sc|ML_FF_LEATOM_MB|Examples|Examples that use this tag}}
----

[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]