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This repository was archived by the owner on Apr 29, 2025. It is now read-only.

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Consistent parameters for Composite models for single structures versus multiple structures

#106

· ConnorPigg opened

on Jul 26, 2019

TabulatedModel x fitting data that works for single property or property group

#105

· ConnorPigg opened

on Jul 16, 2019

Allow arbitrary mathematical models for each property when fitting

#103

· ConnorPigg opened

on Jun 25, 2019

Fitting with multiple initial guesses

#102

· ConnorPigg opened

on Jun 20, 2019

Refactor fitting to allow sets of properties (feature vectors)

#100

· ConnorPigg opened

on Jun 13, 2019

Interpolate profiles to experimental qvalues/xvalues

#99

· ConnorPigg opened

on Jun 13, 2019

Calculate profiles for trajectories

#92

· ConnorPigg opened

on Jun 7, 2019

Small changes to master

#50

· jmborr opened

on Feb 15, 2018

New release

#47

· jmborr opened

on Feb 8, 2018

parallelize calls to an external executable

#39

· jmborr opened

on Jan 17, 2018

add a property for the hydrogen bond occupancy

#36

· jmborr opened

on Jan 16, 2018

add a plot method to the ProfileProperty

#35

· jmborr opened

on Jan 16, 2018