Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / deepanshs/mrsimulator issues and pull requests

#272 - Allow `sim.config.integration_density = 0`

Issue - State: open - Opened by mgiammar over 1 year ago

#271 - Bug in Minimizer(sf.LMFIT_min_function, fit_parameters, fcn_args=(sim, processor, sigma))

Issue - State: closed - Opened by MHFrey over 1 year ago - 4 comments
Labels: bug

#270 - Bug fix for Mixing Enum class

Pull Request - State: closed - Opened by mgiammar over 1 year ago - 1 comment
Labels: python

#269 - CSDM origin offset and reference issue

Issue - State: closed - Opened by deepanshs over 1 year ago - 2 comments

#266 - Update documentation

Pull Request - State: closed - Opened by deepanshs over 1 year ago - 1 comment

#265 - [DEBUG] Delay event debugging

Pull Request - State: closed - Opened by mgiammar over 1 year ago - 1 comment

#264 - Include experimental pre-processing examples in the documentation

Issue - State: open - Opened by mgiammar over 1 year ago
Labels: documentation

#262 - Simplify Frequency Contributions

Pull Request - State: closed - Opened by mgiammar over 1 year ago - 3 comments

#261 - Convert spectral dimension to periodic dimension

Pull Request - State: closed - Opened by deepanshs over 1 year ago - 1 comment

#260 - 'MixingEnum' object has no attribute 'json'

Issue - State: closed - Opened by deepanshs over 1 year ago - 2 comments
Labels: bug

#259 - djs/Tests for 1st order quad.

Pull Request - State: closed - Opened by deepanshs over 1 year ago - 1 comment

#258 - new features for signal processing class

Pull Request - State: open - Opened by deepanshs over 1 year ago - 1 comment

#257 - Implement custom isotope as lookup table

Pull Request - State: closed - Opened by mgiammar over 1 year ago - 1 comment

#256 - djs/simplify custom isotope

Pull Request - State: closed - Opened by deepanshs over 1 year ago - 1 comment

#255 - Exclude zero weight pathways

Pull Request - State: closed - Opened by mgiammar over 1 year ago - 1 comment

#254 - djs/test binaries build

Pull Request - State: closed - Opened by deepanshs over 1 year ago - 1 comment

#253 - Implement DelayEvent objects

Pull Request - State: closed - Opened by mgiammar over 1 year ago - 4 comments
Labels: feature

#252 - Store spin_multiplicity instead of spin for all Isotopes

Pull Request - State: closed - Opened by mgiammar over 1 year ago - 1 comment

#251 - Bump codecov/codecov-action from 3.1.3 to 3.1.4

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 1 comment
Labels: dependencies, github_actions

#250 - Implement Custom Isotopes

Pull Request - State: closed - Opened by mgiammar over 1 year ago - 4 comments

#249 - djs/fix for large chemical shifts and reference offsets

Pull Request - State: closed - Opened by deepanshs over 1 year ago - 1 comment

#248 - djs/Fix large reference offset issue

Pull Request - State: closed - Opened by deepanshs over 1 year ago - 1 comment

#247 - Windows bug fix

Pull Request - State: closed - Opened by mgiammar over 1 year ago - 3 comments

#246 - Bump codecov/codecov-action from 3.1.1 to 3.1.3

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 1 comment
Labels: dependencies, github_actions

#245 - Bump codecov/codecov-action from 3.1.1 to 3.1.2

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 2 comments
Labels: dependencies, github_actions

#244 - Bump breathe from 4.34.0 to 4.35.0

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 2 comments
Labels: dependencies, python

#243 - Distinguish overlapping class names in the signal_processor module

Issue - State: closed - Opened by mgiammar over 1 year ago - 1 comment
Labels: python, cleanup

#242 - Pre-compute pathways for fitting

Pull Request - State: closed - Opened by mgiammar over 1 year ago - 2 comments
Labels: optimization

#241 - djs/Setup cleanup

Pull Request - State: closed - Opened by deepanshs over 1 year ago - 1 comment

#240 - Undo skip test (check why windows GitHub runner fail with SSL error)

Pull Request - State: closed - Opened by deepanshs over 1 year ago - 2 comments

#239 - Skip docs/introduction/fitting_example.rst test

Pull Request - State: closed - Opened by deepanshs over 1 year ago - 1 comment

#238 - Add rotation function for tensors and parent objects

Pull Request - State: closed - Opened by mgiammar over 1 year ago - 1 comment
Labels: enhancement, python

#237 - djs/fix missing and outdated links

Pull Request - State: closed - Opened by deepanshs over 1 year ago - 1 comment

#236 - djs/Linux build error fix

Pull Request - State: closed - Opened by deepanshs almost 2 years ago - 1 comment

#235 - Update pre-commit .yaml file

Pull Request - State: closed - Opened by mgiammar almost 2 years ago - 1 comment

#234 - Add check for experimental data

Pull Request - State: closed - Opened by mgiammar almost 2 years ago - 1 comment

#233 - Bump codecov/codecov-action from 3.1.0 to 3.1.1

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies, github_actions

#232 - Add interpolation scheme for n-dimensional binning

Pull Request - State: closed - Opened by mgiammar about 2 years ago - 2 comments
Labels: enhancement, feature

#231 - Allow np.inf for 2D named methods

Pull Request - State: closed - Opened by mgiammar about 2 years ago - 2 comments
Labels: bug, python

#230 - divide by zero when affine applied to spectrum of all zeros.

Issue - State: closed - Opened by pjgrandinetti about 2 years ago - 4 comments

#229 - STMAS pathway fix

Pull Request - State: closed - Opened by pjgrandinetti about 2 years ago - 1 comment

#228 - STMAS Pathway Fix

Pull Request - State: closed - Opened by pjgrandinetti about 2 years ago

#227 - Parsers for common DFT software

Pull Request - State: open - Opened by mVenetos97 about 2 years ago - 3 comments

#226 - Implement capability for creating user-defined isotopes

Pull Request - State: closed - Opened by mgiammar about 2 years ago - 8 comments
Labels: enhancement, python

#225 - Add MQ-MAS simulation

Issue - State: closed - Opened by mgiammar about 2 years ago - 2 comments
Labels: enhancement, python, feature

#224 - Add 2nd-order quadrupole cross terms into calculations

Issue - State: closed - Opened by mgiammar about 2 years ago - 1 comment
Labels: python, feature

#223 - Add `ConstantTime` event into the calculated frequencies

Issue - State: closed - Opened by mgiammar about 2 years ago - 1 comment
Labels: python, feature

#222 - Improve test coverage for STMAS method

Issue - State: open - Opened by deepanshs about 2 years ago
Labels: maintenance

#221 - Quadrupolar cross-term interactions.

Pull Request - State: closed - Opened by deepanshs about 2 years ago - 2 comments

#220 - Support for multi-dimensional (>2) SpectralDimension simulation.

Issue - State: open - Opened by deepanshs about 2 years ago
Labels: enhancement

#219 - Optimize code for gamma angle averaging

Issue - State: open - Opened by deepanshs about 2 years ago
Labels: enhancement, optimization, feature

#218 - Post-release updates

Pull Request - State: closed - Opened by deepanshs about 2 years ago - 1 comment

#216 - Remove linux 32-bit i686 from release builds

Pull Request - State: closed - Opened by deepanshs about 2 years ago

#215 - Add mixing events to the library method

Issue - State: open - Opened by deepanshs about 2 years ago - 1 comment

#214 - Final documentation fixes before v0.7 release

Pull Request - State: closed - Opened by mgiammar about 2 years ago - 14 comments

#213 - Update version number to 0.7.0

Pull Request - State: closed - Opened by mgiammar about 2 years ago - 1 comment

#212 - Add a linear interpolation scheme for probability distribution approximation

Issue - State: open - Opened by deepanshs about 2 years ago - 1 comment
Labels: optimization

#211 - Include a new `set_state` attribute to `sim.config`

Issue - State: open - Opened by deepanshs about 2 years ago
Labels: enhancement, optimization

#210 - Add a `rotate` function to the `Site` class

Issue - State: closed - Opened by deepanshs about 2 years ago
Labels: enhancement

#209 - Simplify the `freq_contrib` attribute

Issue - State: closed - Opened by deepanshs about 2 years ago
Labels: enhancement

#208 - Add a custom EulerAngles class

Issue - State: open - Opened by deepanshs about 2 years ago
Labels: enhancement

#207 - doc: update method, theory

Pull Request - State: closed - Opened by pjgrandinetti about 2 years ago - 3 comments
Labels: documentation

#206 - New method section

Pull Request - State: closed - Opened by mgiammar about 2 years ago - 2 comments
Labels: documentation

#205 - Method checks

Pull Request - State: closed - Opened by mgiammar about 2 years ago - 1 comment
Labels: bug, python

#204 - Update version number in code before releasing v0.7

Issue - State: closed - Opened by mgiammar about 2 years ago
Labels: python

#203 - Attribute and class renames for v0.7

Pull Request - State: closed - Opened by mgiammar about 2 years ago - 1 comment
Labels: documentation, python, cleanup

#202 - Notes for M1 and python builds

Pull Request - State: closed - Opened by mgiammar about 2 years ago - 1 comment
Labels: documentation

#201 - Documentation - 2D experiment examples such as COSY and INADEQUATE

Issue - State: open - Opened by pjgrandinetti about 2 years ago - 1 comment

#200 - JEOL file format support

Issue - State: closed - Opened by pjgrandinetti about 2 years ago
Labels: duplicate

#199 - Add pyupgrade to pre-commit hook. Upgrade code to py3.7+

Pull Request - State: closed - Opened by deepanshs about 2 years ago - 1 comment

#198 - Update changelog

Pull Request - State: closed - Opened by deepanshs about 2 years ago - 1 comment

#197 - Add Delay (constant time) events

Issue - State: closed - Opened by pjgrandinetti about 2 years ago

#196 - Fast MQ-MAS simulations in the static-limit approximation

Issue - State: open - Opened by pjgrandinetti about 2 years ago - 2 comments

#195 - Add quadrupolar cross-terms frequency contributions

Issue - State: closed - Opened by pjgrandinetti about 2 years ago

#193 - Larmor frequency helper function

Pull Request - State: closed - Opened by mVenetos97 about 2 years ago - 1 comment

#192 - Release note for v0.7

Issue - State: closed - Opened by mgiammar about 2 years ago
Labels: documentation

#191 - Add api section for MixingEnum class

Pull Request - State: closed - Opened by mgiammar about 2 years ago - 1 comment
Labels: documentation

#190 - pprint of get_symmetry_pathway result

Issue - State: open - Opened by pjgrandinetti about 2 years ago
Labels: enhancement

#189 - Add Extended Czjzek fitting example

Pull Request - State: closed - Opened by mgiammar about 2 years ago - 2 comments
Labels: documentation

#188 - Fix the logic for query combination involving coupled quad nuclei.

Pull Request - State: closed - Opened by deepanshs about 2 years ago - 1 comment

#187 - method symmetry pathway plot, d pathways needs to show tic at every integer

Issue - State: open - Opened by pjgrandinetti about 2 years ago
Labels: enhancement

#186 - Fix bug for coupled quad symmetry query.

Pull Request - State: closed - Opened by deepanshs about 2 years ago - 1 comment

#185 - Add larmor frequency helper function to isotope class

Issue - State: closed - Opened by pjgrandinetti about 2 years ago - 1 comment
Labels: enhancement

#184 - Rename RotationalQuery to RotationQuery

Issue - State: closed - Opened by pjgrandinetti over 2 years ago - 1 comment
Labels: cleanup

#183 - BaseEvent attribute "transition_query" should be "transition_queries"

Issue - State: closed - Opened by pjgrandinetti over 2 years ago - 1 comment
Labels: cleanup

#182 - Examples for Method object

Pull Request - State: closed - Opened by mccarthy677 over 2 years ago - 2 comments

#181 - PJG user guide edits

Pull Request - State: closed - Opened by pjgrandinetti over 2 years ago - 1 comment
Labels: documentation

#180 - User guide

Pull Request - State: closed - Opened by pjgrandinetti over 2 years ago - 1 comment

#179 - Drop support for python 3.6

Pull Request - State: closed - Opened by deepanshs over 2 years ago - 1 comment

#178 - Bump breathe from 4.33.1 to 4.34.0

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 1 comment
Labels: dependencies, python

#177 - add channel check for named methods

Pull Request - State: closed - Opened by mgiammar over 2 years ago - 1 comment

#176 - Add instructions for source install on M1 Mac

Pull Request - State: closed - Opened by mgiammar over 2 years ago - 2 comments
Labels: documentation

#175 - djs/Gamma orientation averaging

Pull Request - State: closed - Opened by deepanshs over 2 years ago - 1 comment
Labels: feature

#174 - Documentation Edits by PJG

Pull Request - State: closed - Opened by pjgrandinetti over 2 years ago - 1 comment

#173 - Add support for negative spectral_width for spectral dimensions.

Pull Request - State: closed - Opened by deepanshs over 2 years ago - 1 comment

#172 - Bump actions/setup-python from 3 to 4

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 1 comment
Labels: dependencies, github_actions

#171 - migrate .mrsys files to ssnmr

Pull Request - State: closed - Opened by mgiammar over 2 years ago - 1 comment

#168 - Docs format

Pull Request - State: closed - Opened by deepanshs over 2 years ago - 2 comments