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19 Open 44 Closed
19 Open 44 Closed
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Issues list

Affine scale factor is included in fitting parameters
#314 opened Jan 24, 2024 by mccarthy677
Allow sim.config.integration_density = 0
#272 opened Jun 15, 2023 by mgiammar
Include experimental pre-processing examples in the documentation documentation Documentation updates
#264 opened Jun 1, 2023 by mgiammar v0.8
Improve test coverage for STMAS method maintenance long term maintenance and support
#222 opened Jul 31, 2022 by deepanshs
Support for multi-dimensional (>2) SpectralDimension simulation. enhancement New feature or request
#220 opened Jul 24, 2022 by deepanshs
Optimize code for gamma angle averaging enhancement New feature or request feature new features optimization Performance and speed
#219 opened Jul 24, 2022 by deepanshs
Add mixing events to the library method
#215 opened Jul 20, 2022 by deepanshs v0.8
@pjgrandinetti
1
Add a linear interpolation scheme for probability distribution approximation optimization Performance and speed
#212 opened Jul 19, 2022 by deepanshs v0.8
1
@mgiammar
1
Include a new set_state attribute to sim.config enhancement New feature or request optimization Performance and speed
#211 opened Jul 19, 2022 by deepanshs v0.8
Add a custom EulerAngles class enhancement New feature or request
#208 opened Jul 19, 2022 by deepanshs v0.8
Documentation - 2D experiment examples such as COSY and INADEQUATE
#201 opened Jul 10, 2022 by pjgrandinetti
1
Fast MQ-MAS simulations in the static-limit approximation
#196 opened Jul 9, 2022 by pjgrandinetti
2
pprint of get_symmetry_pathway result enhancement New feature or request
#190 opened Jul 3, 2022 by pjgrandinetti
@mVenetos97
method symmetry pathway plot, d pathways needs to show tic at every integer enhancement New feature or request
#187 opened Jul 2, 2022 by pjgrandinetti v0.8
@mgiammar
Simplifying transition pathways by adding weights pathways which are the same except where p=0 enhancement New feature or request optimization Performance and speed
#166 opened May 23, 2022 by mgiammar v0.8
Test for signal amplitude intensity for 2D simulations.
#135 opened Mar 22, 2022 by deepanshs v0.8
1
Create conda recipe for mrsimulator help wanted Extra attention is needed
#68 opened Jun 3, 2021 by deepanshs
2
Import NMR data from vendor files help wanted Extra attention is needed
#58 opened May 12, 2021 by deepanshs
2 of 4 tasks
1
@mccarthy677
5
Automatically create SpinSystem objects from Gaussian and CASTEP outputs. enhancement New feature or request good first issue Good for newcomers help wanted Extra attention is needed
#21 opened Jul 7, 2020 by deepanshs
3
ProTip! Adding no:label will show everything without a label.