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Merging #9

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arsalan-akhtar wants to merge 80 commits intosiesta-project:mainsiesta-project/flos:mainfrom arsalan-akhtar:masterarsalan-akhtar/flos:masterCopy head branch name to clipboard

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Commits

Commits on Feb 25, 2019

• DNEB added and file save moved to neb class

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  b63cd02

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• Utils Folder created for scripts & image_creator added to the folder

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  5ffe248

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• neb with final and initial Density Matrix(DM) and images_*.xyz in each LUA step created for restarting the NEB calculation

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  31a416c

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Commits on Mar 6, 2019

• VC-NEB added

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  ce77df6

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Commits on Apr 4, 2019

• Create index.md

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• Update and rename index.md to index.rst

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  21f0dfd

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• Delete index.rst

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  167cf09

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Commits on May 13, 2019

• fixed the bug

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  committed
  9c10a67

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• Merge branch 'master' of https://github.com/arsalan-akhtar/flos

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  13079d1

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• update xyz added

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  ee303b9

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Commits on Sep 17, 2019

• Temperaturedependet NEB added

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  594464f

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• Adding Working Dir

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  9b8ed37

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Commits on Sep 28, 2019

• testing TDNEB

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  b36f94d

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Commits on Oct 1, 2019

• Adding new class for dneb

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  ad19661

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• adding new vcneb

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  f8a3695

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Commits on Oct 14, 2019

• with new sub class

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  8cad2ae

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Commits on Nov 6, 2019

• The Working folder deleted

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  committed
  fef1e5b

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• general cleaning

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  4def287

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• spring constant bug fixed

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  7bfe536

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Commits on Jan 26, 2020

• Doc Folder added

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  8168a64

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• backup if index

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  a32a93d

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• confy fixed

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  c6b4f06

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Commits on Jan 28, 2020

• installation section added

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  cc5c8e2

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• installation section added

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  584738f

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• installation section added

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  d083d08

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• installation section added

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  393082d

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• installation section added

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  24e9b57

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• installation section added

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  1b06c9b

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• installation section added

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  f326b12

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• installation section added

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  aaa929f

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• installation section added

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  474fc6d

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• installation section added

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  784a30c

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• installation section added

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  b10a29e

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• installation section added

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  086805c

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• installation section added

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  90bd1a9

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• Basics added

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• Basics added

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• Basics added

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• Basics added

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• Basics added

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• Basics added

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• Basics added

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  960f413

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• basic part added

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  338622d

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• basic part added

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  6e5a141

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• basic part added

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  f6176a1

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• basic part added

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  c6d9abc

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Commits on Jan 30, 2020

• ICN2 and icmab index details removed

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  be1366e

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Commits on Feb 17, 2020

• dictionary test

  

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• dictionary test

  

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  ad71b77

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• dictionary

  

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  b558507

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• dictionary

  

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• dictionary

  

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• dictionary

  

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• dictionary

  

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• dictionary

  

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• dictionary

  

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• dictionary

  

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• dictionary

  

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• dictionary

  

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• dictionary

  

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• dictionary

  

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• dictionary

  

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• dictionary

  

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• dictionary

  

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  255d777

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• dictionary

  

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• dictionary

  

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• dictionary

  

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Commits on Aug 26, 2020

• updated the neb & neb analysis

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  58b63d2

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• Merge branch 'master' of github.com:arsalan-akhtar/flos

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  9829cec

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Commits on Nov 17, 2020

• MD class

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  de5283a

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• MD class

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  2a9f4d6

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• MD class

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• until line

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• .gitignore added

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  33b822b

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Commits on Nov 23, 2020

• adding tutorial folder

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  2edee5b

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• Merge pull request #1 from arsalan-akhtar/cleanup

  Show description for b85500c
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  b85500c

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• conflict fixed

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  67f4cb4

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• Merge branch 'siesta-project-master'

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  4dbed86

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• tutorials adding basics

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  7e66c6b

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Commits on Jun 28, 2021

• image fix

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  b2c9732

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