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Commits on Sep 11, 2025

• Merge pull request #10 from libAtoms/operator

  Show description for 67b4434
  pathleon

  authored
  67b4434

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Commits on Jul 14, 2025

• Fixed bug with alpha_max < 7

  

  pathleon

  committed
  49e914a

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Commits on Jun 6, 2025

• Removed warning message

  

  pathleon

  committed
  4d9c831

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• Merged soap_turbo_radial.f90 and soap_turbo_radial_operator.f90

  

  pathleon

  committed
  cccc361

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Commits on Aug 21, 2024

• Fixed wrong allocation

  pathleon

  committed
  5402444

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Commits on Aug 20, 2024

• Changed name of subroutine

  pathleon

  committed
  a7507e9

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• Fixed small bugs, now tested and working

  pathleon

  committed
  cf5c992

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• Faster implementation of the soap_turbo operator, including derivatives

  pathleon

  committed
  fe1cb31

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Commits on Jun 28, 2024

• Checked amplitude bug

  pathleon

  committed
  7a8c8d2

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Commits on Jun 26, 2024

• Added derivatives normalization and sign

  pathleon

  committed
  5be9172

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Commits on Jun 12, 2024

• Derivatives implementation

  pathleon

  committed
  6bea0e9

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Commits on Jun 6, 2024

• Modified name to poly3operator

  pathleon

  committed
  dc8f049

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Commits on May 17, 2024

• Fixed sigma definition and filter function

  pathleon

  committed
  e2e8ae8

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Commits on Apr 3, 2024

• Added radial operator option

  pathleon

  committed
  7925b88

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• Added radial operator

  pathleon

  committed
  b5a4f46

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Commits on May 24, 2023

• Fixed uninitialized variable that led to NaN depending on compiler optimization level

  mcaroba

  committed
  03f9d82

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Commits on May 2, 2023

• Updated copyright years

  mcaroba

  committed
  d0c42dc

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• Merge branch 'master' of https://github.com/libAtoms/soap_turbo into HEAD

  mcaroba

  committed
  2a590a8

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• Fixed bug in mask (only affects TurboGAP, GAP doesn't use this mask function)

  mcaroba

  committed
  c97c818

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Commits on Mar 10, 2023

• Replaced some instances of matmul with dgemm

  mcaroba

  committed
  ac84a2a

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Commits on Mar 7, 2023

• Tabulated poly3 coefficients

  mcaroba

  committed
  b49635e

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• Tabulated poly3 coefficients

  mcaroba

  committed
  4104fae

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Commits on Feb 21, 2023

• Fixed order for the condition evaluation

  mcaroba

  committed
  6a94c14

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• Make warning/error move visible

  mcaroba

  committed
  c7d5b1f

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• Error always triggered

  mcaroba

  committed
  857a303

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• Print warning only once

  mcaroba

  committed
  e3e93e0

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• Fixed typo

  mcaroba

  committed
  68e976e

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• Added warning/error message and documented basis instabilities

  mcaroba

  committed
  70013b2

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• Added warning/error message and documented basis instabilities

  mcaroba

  committed
  7cce18a

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Commits on Feb 9, 2023

• Updated README

  mcaroba

  committed
  067f35c

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Commits on Dec 2, 2022

• Unitialized variable set to zero

  mcaroba

  committed
  cb6f5c9

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Commits on Apr 6, 2022

• Updated README

  mcaroba

  committed
  4a369f6

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Commits on Feb 22, 2022

• Fixed bugged when basis changes

  mcaroba

  committed
  060135d

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Commits on Feb 16, 2022

• Added soap to soap_turbo translation table

  mcaroba

  committed
  9baa7ef

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• Implemented James Darby's compression recipes

  mcaroba

  committed
  66757da

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