KingsburyLab/pyEQL

Issues

• bump pymatgen upon next release

  #158 opened a month ago by rkingsbury
  1

• CI: add py.typed for explicit type checking support

  #179 opened 2 months ago by rkingsbury
  0

• bump monty on next release and streamline as_dict

  #159 opened 2 months ago by rkingsbury
  1

• CI: parallel pytest execution causes intermittent test failures

  #170 opened 2 months ago by rkingsbury
  1

• CI improvement: add lowest-direct dependency resolution

  #157 opened 2 months ago by rkingsbury
  1

• edit log message _adjust_charge_balance

  #160 opened 2 months ago by rkingsbury
  0

• Suggestion for improvement on IonDB formula recognition

  #136 opened 3 months ago by xiaoxiaozhu123
  4

• BUG: repeated calls to equilibrate cause pH changes

  #141 opened 4 months ago by rkingsbury
  0

• Additional Preset: Geothermal Brine

  #138 opened 4 months ago by rkingsbury
  0

• Goal: Increase test coverage to 90%

  #62 opened a year ago by rkingsbury
  2

• UnicodeDecodeError when importing pyEQL

  #122 opened 5 months ago by xiaoxiaozhu123
  3

• Units discrepancies between __init__ and get_amount

  #128 opened 6 months ago by rkingsbury
  0

• Quiet and deduplicate logging messages

  #52 opened 7 months ago by rkingsbury
  0

• Incomplete support for Apple silicon (M1, M2, etc.)

  #109 opened 8 months ago by rkingsbury
  5

• Br(None) species - oxidation state error

  #116 opened 7 months ago by jaichanders
  4

• Update all docstrings to be Google style; update examples and See Also

  #54 opened 7 months ago by rkingsbury
  0

• JOSS Review--Documentation

  #102 opened 7 months ago by yuxuanzhuang
  2

• Docs syntax cleanup

  #55 opened 7 months ago by rkingsbury
  1

• IndexError due to incorrect handling of empty oxidation state guesses

  #103 opened 8 months ago by xiaoxiaozhu123
  1

• Housekeeping: address some repo-review items

  #66 opened a year ago by rkingsbury
  4

• update conductivity equation to latest PHREEQC model

  #56 opened a year ago by rkingsbury
  0

• Two instructions for contribution

  #68 opened a year ago by kirill-push
  1

• Replace autogenerate() with a Solution class method

  #63 opened a year ago by rkingsbury
  1

• Warnings for demo notebook on readthedocs

  #64 opened a year ago by TimBartholomew
  3

• add utility function to format dict with single unit

  #53 opened a year ago by rkingsbury
  7

• Enhancement: Native IPHREEQC support?

  #61 opened a year ago by rkingsbury
  0

• Research Needed: Validity of speciation + Pitzer activity in native engine

  #60 opened a year ago by rkingsbury
  0

• Feature: Scaling tendency / Saturation Index

  #58 opened a year ago by rkingsbury
  0

• Research Needed: Investigate mixing rules for mixed salt properties

  #59 opened a year ago by rkingsbury
  0

• Separate benchmarks from unit tests (add benchmarking suite)

  #57 opened a year ago by rkingsbury
  0

• Buffer intensity and/or pH change calculations

  #8 opened a year ago by rkingsbury
  0

• Acid-base equilibrium support

  #6 opened a year ago by rkingsbury
  1

• Reaction support

  #5 opened a year ago by rkingsbury
  0

• Speciation calculations

  #18 opened a year ago by allanc1
  9

• Make water density pressure-dependent

  #9 opened a year ago by rkingsbury
  3

• New feature: Extensible system for thermodynamic backends

  #24 opened a year ago by rkingsbury
  0

• Modernize Solution interface

  #23 opened a year ago by rkingsbury
  0

• get_element_names doesn't recognize D for deuterium

  #21 opened 2 years ago by supern8ent
  3

• pint dimension error using pyEQL

  #20 opened 4 years ago by duliuying
  2

• Absence of list_salts() and get_salt_list()

  #19 opened 6 years ago by IvanBayan
  2

• Error when calculating osmotic pressure - bad operand type for unary -: 'Unit'

  #17 opened 8 years ago by rkingsbury
  0

• Automated Pint Testing

  #16 opened 9 years ago by hgrecco
  3

• Make dielectric constant a function of ionic strength

  #7 opened 9 years ago by rkingsbury
  1

• Activity coefficients calculated incorrectly for non 1:1 salts

  #15 opened 9 years ago by rkingsbury
  2

• Add ability to calculate alkalinity

  #14 opened 9 years ago by rkingsbury
  1

• Automatically generate composition of seawater

  #4 opened 9 years ago by rkingsbury
  0

• add method to calculate hardness

  #13 opened 9 years ago by rkingsbury
  0

• get_amount() ignores [mass]/[volume] and [mass]/[mass] units

  #12 opened 9 years ago by rkingsbury
  2

• Improve handling of absent solutes in get_amount()

  #11 opened 9 years ago by rkingsbury
  0

• Temperature correction for Pitzer parameters

  #10 opened 9 years ago by rkingsbury
  0