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Qmlearn #82

Merged
merged 27 commits into from
Sep 10, 2018
Merged

Qmlearn #82

merged 27 commits into from
Sep 10, 2018

Commits on Aug 7, 2018

  1. Made base representations

    @larsbratholm
    larsbratholm committed Aug 7, 2018
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Commits on Aug 9, 2018

  1. started CM and data class

    @larsbratholm
    larsbratholm committed Aug 9, 2018
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Commits on Aug 10, 2018

  1. Working on generate routine

    @larsbratholm
    larsbratholm committed Aug 10, 2018
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Commits on Aug 14, 2018

  1. Working basic example

    @larsbratholm
    larsbratholm committed Aug 14, 2018
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Commits on Aug 15, 2018

  1. Mostly hacked the searchcv routines to work

    @larsbratholm
    larsbratholm committed Aug 15, 2018
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Commits on Aug 17, 2018

  1. Implementing atomic gaussian kernel

    @larsbratholm
    larsbratholm committed Aug 17, 2018
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Commits on Aug 20, 2018

  1. working atomic krr

    @larsbratholm
    larsbratholm committed Aug 20, 2018
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Commits on Aug 22, 2018

  1. Restructure and started global slatm

    @larsbratholm
    larsbratholm committed Aug 22, 2018
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Commits on Aug 28, 2018

  1. Slatm

    @larsbratholm
    larsbratholm committed Aug 28, 2018
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  2. Started acsf

    @larsbratholm
    larsbratholm committed Aug 28, 2018
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Commits on Aug 29, 2018

  1. stash before merging acsf bugfix

    @larsbratholm
    larsbratholm committed Aug 29, 2018
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  2. acsf bugfix cherrypick

    @larsbratholm
    larsbratholm committed Aug 29, 2018
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Commits on Aug 31, 2018

  1. sigma='auto' option added to kernels

    @larsbratholm
    larsbratholm committed Aug 31, 2018
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  2. Started fchl

    @larsbratholm
    larsbratholm committed Aug 31, 2018
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Commits on Sep 3, 2018

  1. Working fchl

    @larsbratholm
    larsbratholm committed Sep 3, 2018
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  2. Started preprocessing

    @larsbratholm
    larsbratholm committed Sep 3, 2018
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Commits on Sep 4, 2018

  1. Mostly working atom scaler

    @larsbratholm
    larsbratholm committed Sep 4, 2018
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Commits on Sep 5, 2018

  1. Made several attributes private

    @larsbratholm
    larsbratholm committed Sep 5, 2018
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  2. Restructured how the data object is passed, to avoid possible memory … 

    …issues
    @larsbratholm
    larsbratholm committed Sep 5, 2018
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Commits on Sep 6, 2018

  1. Started alchemy in kernels

    @larsbratholm
    larsbratholm committed Sep 6, 2018
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Commits on Sep 7, 2018

  1. Minor change to kernel alchemy

    @larsbratholm
    larsbratholm committed Sep 7, 2018
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  2. Working feature trick in kernels

    @larsbratholm
    larsbratholm committed Sep 7, 2018
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  3. Cleaned up code

    @larsbratholm
    larsbratholm committed Sep 7, 2018
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  4. daily

    @larsbratholm
    larsbratholm committed Sep 7, 2018
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Commits on Sep 9, 2018

  1. Finished examples

    @larsbratholm
    larsbratholm committed Sep 9, 2018
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  2. Merge branch 'sklearn_interface' into qmlearn

    @larsbratholm
    larsbratholm committed Sep 9, 2018
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Commits on Sep 10, 2018

  1. Merge branch 'develop' into qmlearn

    @larsbratholm
    larsbratholm authored Sep 10, 2018
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