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- 09:38, 9 September 2020 (diff | hist) (-22) NSTORB (current)
- 09:37, 9 September 2020 (diff | hist) (-22) MP2 (current)
- 06:45, 15 July 2020 (diff | hist) (+90) KPOINTS (→Monkhorst-Pack) (current)
- 08:15, 21 February 2020 (diff | hist) (+2) Fcc Si bandstructure (→CALCULATION) (current)
- 15:29, 20 February 2020 (diff | hist) (-1) O atom (→stdout) (current)
- 15:27, 20 February 2020 (diff | hist) (0) O atom (→stdout)
- 10:15, 14 January 2020 (diff | hist) (+43) ISTART (current)
- 10:14, 14 January 2020 (diff | hist) (+105) ISTART
- 13:56, 29 November 2019 (diff | hist) (-3) NUPDOWN (current)
- 13:49, 29 November 2019 (diff | hist) (+9) NUPDOWN
- 15:27, 28 November 2019 (diff | hist) (+766) N STOP ON (Created page with "{{TAGDEF|STOP_ON|Error{{!}}Alert|Error}} Description: {{TAG|STOP_ON}} defines if the code should stop on errors only or also on alerts. ---- There are two instances, why on...") (current)
- 16:15, 8 October 2019 (diff | hist) (-1) ISMEAR
- 13:24, 23 August 2019 (diff | hist) (+1) Liquid Si - MLFF (→Obtaining a more accurate force field)
- 13:18, 23 August 2019 (diff | hist) (-16) Liquid Si - MLFF (→Production runs using the optimized parameters)
- 11:57, 23 August 2019 (diff | hist) (-305) Liquid Si - MLFF (→Optimizing weights of energy, forces and stress)
- 11:41, 23 August 2019 (diff | hist) (-587) Liquid Si - MLFF (→Optimizing weights on energy, forces and stress)
- 11:37, 23 August 2019 (diff | hist) (+2) Liquid Si - MLFF (→Obtaining more accurate force field)
- 10:39, 23 August 2019 (diff | hist) (-70) Liquid Si - MLFF (→User task)
- 10:37, 23 August 2019 (diff | hist) (-308) Liquid Si - MLFF (→Obtaining more accurate force field)
- 09:41, 23 August 2019 (diff | hist) (-206) Liquid Si - MLFF (→Obtaining more accurate force field)
- 16:31, 22 August 2019 (diff | hist) (+185) Liquid Si - MLFF (→Structral properties of the force field)
- 16:10, 22 August 2019 (diff | hist) (+3) Liquid Si - MLFF (→Structral properties of the force field)
- 16:09, 22 August 2019 (diff | hist) (-7,190) Liquid Si - MLFF (→Structral properties of the force field)
- 15:17, 22 August 2019 (diff | hist) (-207) Pair correlation script (current)
- 15:16, 22 August 2019 (diff | hist) (+12) Pair correlation script
- 15:14, 22 August 2019 (diff | hist) (+208) Pair correlation script
- 15:13, 22 August 2019 (diff | hist) (+7,043) N Pair correlation script (Created page with "#!/usr/bin/perl use strict; use warnings; #configuration for which ensemble average is to be calculated my $confmin=1; #starting index of configurations in XDATCA...")
- 14:52, 22 August 2019 (diff | hist) (+150) Liquid Si - MLFF (→Structral properties of the force field)
- 14:27, 22 August 2019 (diff | hist) (+48) Liquid Si - MLFF
- 14:23, 22 August 2019 (diff | hist) (-3) Liquid Si - MLFF (→Creating the liquid structure)
- 13:40, 22 August 2019 (diff | hist) (-13) Liquid Si - MLFF (→{{TAG|POSCAR}})
- 13:39, 22 August 2019 (diff | hist) (-312) Liquid Si - MLFF
- 16:13, 21 August 2019 (diff | hist) (-961) Machine learning force field calculations: Basics
- 15:48, 21 August 2019 (diff | hist) (-1,733) Machine learning force field calculations: Basics
- 15:25, 21 August 2019 (diff | hist) (+265) Machine learning force field calculations: Basics
- 15:05, 21 August 2019 (diff | hist) (-459) Machine learning force field calculations: Basics (→How to run machine learning force field calculations)
- 13:20, 21 August 2019 (diff | hist) (+1) Machine learning force field: Theory (→Descriptor)
- 13:17, 21 August 2019 (diff | hist) (-83) Machine learning force field: Theory (→Algorithm)
- 12:31, 21 August 2019 (diff | hist) (+13) Category:Machine Learning
- 13:10, 10 May 2019 (diff | hist) (+51) Category:Density Mixing (→How to) (current)
- 13:09, 10 May 2019 (diff | hist) (-794) LMIXTAU (current)
- 13:09, 10 May 2019 (diff | hist) (+828) N Kinetic-energy density mixing (Created page with "For the density mixing schemes to work reliably, the charge density mixer must be aware of all quantities that affect the total energy during the self-consistency cycle. For a...") (current)
- 13:01, 10 May 2019 (diff | hist) (+36) LMIXTAU
- 13:00, 10 May 2019 (diff | hist) (+27) LMIXTAU
- 12:57, 10 May 2019 (diff | hist) (-1) Category:Density Mixing
- 12:56, 10 May 2019 (diff | hist) (+748) Category:Density Mixing (→How to)
- 12:54, 10 May 2019 (diff | hist) (-8) Converge magnetic calculations (current)
- 12:53, 10 May 2019 (diff | hist) (+8) Converge magnetic calculations
- 12:46, 10 May 2019 (diff | hist) (0) Converge magnetic calculations
- 12:44, 10 May 2019 (diff | hist) (-280) MAGMOM (current)
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