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Adding the trajectories endpoint to OPTIMADE #377

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Adding the trajectories endpoint to OPTIMADE #377

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Commits on Jul 21, 2021

  1. Added specification for the trajectories endpoint

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  2. Made corrections to the indentation levels

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Commits on Jul 22, 2021

  1. Multiple small corrections for the trajectories entry 

    Placed all sentences on seperate lines.
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  2. Changed layout JSON code blocks under Examples of a returned trajectory.

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  3. Changed indentation level relationships field and no longer discuss r… 

    …eferences for frames.
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Commits on Jul 27, 2021

  1. Processed remarks Gian-Marco + minor changes

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  2. Removed the next_part_trajectory field from the definition as it is a… 

    …lso possible to do this via the next field in the links field of the JSON response.
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Commits on Jul 28, 2021

  1. Replaced \_ with _ where pandoc did not interpreted \ correctly as es… 

    …cape character.
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Commits on Aug 3, 2021

  1. Merge branch 'develop' into JPBergsma_add_Trajectories

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Commits on Aug 23, 2021

  1. Merge branch 'Materials-Consortia:develop' into JPBergsma_add_Traject… 

    …ories
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Commits on Aug 30, 2021

  1. added a few more internal links

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Commits on Sep 9, 2021

  1. Merge branch 'Materials-Consortia:develop' into JPBergsma_add_Traject… 

    …ories
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  2. Merge branch 'JPBergsma_add_Trajectories' of https://github.com/JPBer… 

    …gsma/OPTIMADE into JPBergsma_add_Trajectories
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  3. Apply suggestions from code review Giovanni 

    Co-authored-by: Giovanni Pizzi <[email protected]>
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  4. Merge branch 'JPBergsma_add_Trajectories' of https://github.com/JPBer… 

    …gsma/OPTIMADE into JPBergsma_add_Trajectories
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Commits on Sep 13, 2021

  1. added comments Giovani

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Commits on Sep 15, 2021

  1. processed remarks Giovanni

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  2. Updated examples; specified that the values field is a list; and e fe… 

    …w other small coorection
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Commits on Dec 15, 2021

  1. Placed each sentecnce on a separate line.

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  2. Merge branch 'develop' into JPBergsma_add_Trajectories

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Commits on Dec 16, 2021

  1. removed excess tilde

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  2. Merge branch 'JPBergsma_add_Trajectories' of https://github.com/JPBer… 

    …gsma/OPTIMADE into JPBergsma_add_Trajectories
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  3. replaced reference to section 7.3.1-4 with links to the subsections

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  4. added link to "Retrieving trajectory data" from the introduction sect… 

    …ion of the trajectory endpoint
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  5. changed the formatting of properties in trajectories section.

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Commits on Dec 17, 2021

  1. Corrected spelling mistake

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  2. Changed "fields" to "properties at the start of the "Retrieving the t… 

    …rajectory data" section.
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  3. Readded uneccesary escape backslashes for underscores so the differen… 

    …ce so this PR differs less from the previous version of the OPTIMADE specification.
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  4. Added example query to show how fields within the reference structure… 

    … should be queried.
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  5. Added that the query parameters first_frame, last_frame and frame_ste… 

    …p only apply to the trtajectories endpoint.
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  6. changed frame serialization to frame_serialization_format under in th… 

    …e available properties section.
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  7. removed sentence about only returning trajectory data when the proper… 

    …ty is specified in `response_fields` and changed the alinea a bit to make the sentences around it connect better.
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  8. Removed undetected trailing white space.

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Commits on Mar 4, 2022

  1. Added missing comma in example available_properties.

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Commits on Jun 2, 2022

  1. Made the frame index start from 1.

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Commits on Sep 23, 2022

  1. Merge branch 'develop' into JPBergsma_add_Trajectories

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Commits on Sep 28, 2022

  1. Processed comments Merkys.

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  2. Removed frame and trajectory from Definition of Terms.

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  3. Further improvements to JSON examples.

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  4. Capitalized Structures Entries when referring to section 8.2.

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Commits on Sep 29, 2022

  1. removed commas from JSON comment lines.

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  2. Removed lines which stated queries must be performed on the propertie… 

    …s in the reference structure.
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  3. Apply suggestions from code review rartino 

    Co-authored-by: Rickard Armiento <[email protected]>
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  4. processed remark rartino and removed trailing whitespace.

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  5. removed trailing white space 

    Co-authored-by: Rickard Armiento <[email protected]>
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Commits on Oct 4, 2022

  1. Apply suggestions from code review ml-evs 

    Co-authored-by: Matthew Evans <[email protected]>
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  2. Added extra explanation to field nframes.

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Commits on Oct 6, 2022

  1. Add remark rartino 

    Co-authored-by: Rickard Armiento <[email protected]>
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Commits on Oct 15, 2022

  1. Changed MUST to SHOULD for the support level of theg first_frame, las… 

    …t_frame and frame_step parameters for servers.
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Commits on Nov 29, 2022

  1. Merge branch 'JPBergsma_add_Trajectories' of https://github.com/JPBer… 

    …gsma/OPTIMADE into JPBergsma_add_Trajectories

# Conflicts:
#	optimade.rst
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  2. Merge branch 'develop' into JPBergsma_add_Trajectories

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Commits on Dec 7, 2022

  1. Removed Available properties field.

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  2. Merge branch 'develop' into JPBergsma_add_Trajectories

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  3. removed last reference to solely using the reference structure for qu… 

    …erying.
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Commits on Dec 8, 2022

  1. Removed reference to using the response_field parameter to trigger re… 

    …turning trajectory data.
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Commits on Mar 16, 2023

  1. Merge branch 'develop' into JPBergsma_add_Trajectories

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Commits on Mar 20, 2023

  1. Updated description trajectory endpoint for new ranged property defin… 

    …ition.
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Commits on Jun 2, 2023

  1. Updated examples for the changes in the metadata and ranged propertie… 

    …s proposals.
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  2. Added returned_range_field to example.

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  3. some small changes.

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  4. corrected indexes field in example.

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Commits on Jun 29, 2023

  1. Merge branch 'develop' into JPBergsma_add_Trajectories

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  2. Apply suggestions from code review 

    Co-authored-by: Antanas Vaitkus <[email protected]>
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  3. intermediate state updating trajectory proposal for new developments.

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Commits on Jun 30, 2023

  1. Updated example.

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Commits on Jul 4, 2023

  1. Small corrections

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Commits on Jul 6, 2023

  1. Apated PR for moving range_ids to property definitions.

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Commits on Sep 13, 2023

  1. Changed reference_frame to reference_frames as it is now a list which… 

    … can contain multiple values.
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Commits on Jan 18, 2024

  1. Update optimade.rst 

    Co-authored-by: Antanas Vaitkus <[email protected]>
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Commits on Jul 4, 2024

  1. Update optimade.rst 

    Co-authored-by: Antanas Vaitkus <[email protected]>
    @giovannipizzi @vaitkus
    giovannipizzi and vaitkus authored Jul 4, 2024
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