geem-lab/overreact

Issues

• Complete type hints

  #44 opened 4 years ago by schneiderfelipe
  2

• Atmospheric Models 》ideas for a new release

  #130 opened 3 years ago by Leticia-maria
  2

• Heavy-Atom Kinetic Isotope Effects

  #131 opened 3 years ago by Leticia-maria
  1

• Graphical Interface (Python Version)

  #138 opened 3 years ago by Leticia-maria
  7

• Deprecate support for Python 3.6

  #311 opened 2 years ago by schneiderfelipe
  1

• Fail fast if any of the compound names contains a colon (`:`)

  #153 opened 3 years ago by schneiderfelipe
  0

• Fix the analytical Jacobian usage

  #422 opened 2 years ago by schneiderfelipe
  0

• Update docs during CI

  #428 opened 2 years ago by schneiderfelipe
  0

• Show a simple reaction diagram in the terminal

  #333 opened 2 years ago by schneiderfelipe
  0

• Share a single ID among different species and use it to sum contributions

  #316 opened 2 years ago by schneiderfelipe
  0

• Call overreact using Julia

  #132 opened 3 years ago by Leticia-maria
  5

• Add kappa name below the symbol (greek letter)

  #238 opened 3 years ago by Leticia-maria
  0

• Fill y0 with zeroes if not of the correct shape

  #203 opened 3 years ago by schneiderfelipe
  0

• Expose _constants.py

  #202 opened 3 years ago by schneiderfelipe
  0

• Fresh pip install seems to require matplotlib

  #177 opened 3 years ago by schneiderfelipe
  0

• Build failing again

  #156 opened 3 years ago by Leticia-maria
  0

• Fail if any of the compounds with concentrations can't be found

  #154 opened 3 years ago by schneiderfelipe
  0

• Build failing

  #150 opened 3 years ago by Leticia-maria
  4

• Make cclib an optional dependency

  #31 opened 3 years ago by schneiderfelipe
  1

• Ideas on user interface

  #28 opened 3 years ago by schneiderfelipe
  4

• Support for fixing concentration in chemical kinetic models

  #14 opened 4 years ago by schneiderfelipe
  1

• Bump version and make the 1.0.2 release

  #113 opened 3 years ago by schneiderfelipe
  1

• Create separate repository for documentation and improve it

  #49 opened 4 years ago by schneiderfelipe
  0

• Where's code coverage? ✨

  #101 opened 3 years ago by schneiderfelipe
  0

• Solve GH actions in PRs

  #106 opened 3 years ago by schneiderfelipe
  1

• Commit VS Code configuration

  #61 opened 3 years ago by schneiderfelipe
  0

• Ensure raises are correct and documented

  #76 opened 3 years ago by schneiderfelipe
  0

• Suppress logging from matplotlib

  #60 opened 3 years ago by schneiderfelipe
  1

• Small discrepancy when calculating equilibrium constants from final concentrations, Gibbs free energies and direct/reverse reaction rate constants

  #65 opened 3 years ago by schneiderfelipe
  1

• Module for high-level API

  #30 opened 3 years ago by schneiderfelipe
  6

• Properly publish package on PyPI

  #91 opened 3 years ago by schneiderfelipe
  1

• Migrate to Poetry

  #92 opened 3 years ago by schneiderfelipe
  0

• Use Rich in logging

  #59 opened 3 years ago by schneiderfelipe
  1

• Documentation theme contest 🏆

  #84 opened 3 years ago by schneiderfelipe
  1

• Delete dev branch after full transition

  #86 opened 3 years ago by schneiderfelipe
  1

• Improve help page of the CLI

  #67 opened 4 years ago by schneiderfelipe
  1

• Update all links

  #82 opened 4 years ago by schneiderfelipe
  0

• Finish the process of licensing under MIT

  #12 opened 4 years ago by schneiderfelipe
  1

• Inform we use semantic versioning

  #43 opened 4 years ago by schneiderfelipe
  0

• Improve numerical stability when integrating the ODE system

  #68 opened 4 years ago by schneiderfelipe
  1

• Direct bias adjustment of computed free energies for fitting concentration profiles

  #13 opened 4 years ago by schneiderfelipe
  2

• Ensure correct and (semi)automatic standard state corrections

  #17 opened 4 years ago by schneiderfelipe
  3

• Detect reaction symmetry numbers

  #8 opened 4 years ago by schneiderfelipe
  1

• Aways show (initial and) final concentrations in the output

  #51 opened 4 years ago by schneiderfelipe
  1

• Use Rich in the command-line interface

  #41 opened 4 years ago by schneiderfelipe
  3

• Show some common units for reaction rate constants

  #37 opened 5 years ago by schneiderfelipe
  0

• Indicate the meaning of both rotational energies and entropies in the logs

  #38 opened 5 years ago by schneiderfelipe
  0

• Inform units in logging messages

  #36 opened 5 years ago by schneiderfelipe
  0

• Ensure good gas-phase thermochemistry

  #25 opened 5 years ago by schneiderfelipe
  0

• Make logfile dictionary objects subscriptable

  #29 opened 5 years ago by schneiderfelipe
  1