Issues

Issues

• Suggestions from the JOSS review

  espressopp/espressopp#514 · opened on Aug 26, 2026
  3

• bug in hierarchical_strategy_for_one-component example

  espressopp/espressopp#451 · opened on Feb 8, 2023

• installation on a fresh ubuntu VM results in error

  espressopp/espressopp#450 · opened on Feb 7, 2023
  8

• weekly: argument 1 null where non-null expected

  espressopp/espressopp#449 · opened on Jan 19, 2023

• Bug fixes to CoulombKSpaceP3M

  espressopp/espressopp#440 · opened on Aug 8, 2022

• Wrong angular potential in ring polymer melts

  espressopp/espressopp#434 · opened on Jun 8, 2022

• Buffer Overflow in NumPy

  espressopp/espressopp#430 · opened on May 19, 2022
  1

• Possible bug report to CoulombKSpaceEwald.hpp

  espressopp/espressopp#425 · opened on Apr 6, 2022

• Boost bind

  espressopp/espressopp#410 · opened on Sep 17, 2021
  4

• At least throw a warning

  espressopp/espressopp#388 · opened on May 14, 2021

• testwarmup does not include checks and produces nans

  espressopp/espressopp#378 · opened on May 7, 2021
  9

• Make sure examples actually work

  espressopp/espressopp#369 · opened on May 4, 2021
  3

• NEVER GLOBALLY IMPORT NAMESPACES!!!

  espressopp/espressopp#366 · opened on May 3, 2021

• inconsistencies in FixedPairList::add

  espressopp/espressopp#365 · opened on May 3, 2021

• pipfile outdated?

  espressopp/espressopp#352 · opened on Apr 26, 2021

• addParticle needs improvement

  espressopp/espressopp#345 · opened on Apr 26, 2021
  4

• enable basic warnings

  espressopp/espressopp#341 · opened on Apr 23, 2021
  1

• replace legacy boost functionality

  espressopp/espressopp#339 · opened on Apr 23, 2021

• espressopp python installation

  espressopp/espressopp#329 · opened on Apr 14, 2021
  1

• hadress_water/water.py example

  espressopp/espressopp#309 · opened on Jul 17, 2020
  12

• RDF for specific particle types only

  espressopp/espressopp#286 · opened on Jul 4, 2019
  2

• FFTW3 vs. MKL

  espressopp/espressopp#281 · opened on Mar 26, 2019
  13

• RATTLE error

  espressopp/espressopp#238 · opened on Aug 2, 2018
  1

• Computing nonbonded interaction energy between specified groups

  espressopp/espressopp#235 · opened on Jul 23, 2018
  3

• Change DumpH5MD to be compatible with ExtAnalyze extension

  espressopp/espressopp#225 · opened on Jul 5, 2018 · v3.0