Issues

• “Segmentation Fault” from Ewald Site Overflow When Coulombic Sites Exceed Capacity

  iRASPA/RASPA2#66 · Filter by author Elaine395 opened on Sep 25, 2026

• Segmentation fault after "Shift all potentials" in RASPA2

  iRASPA/RASPA2#64 · Filter by author Masomehtaghipour opened on Jul 7, 2026

• Heat of Adsorption issues

  iRASPA/RASPA2#62 · Filter by author mshres07 opened on Jul 7, 2025

• Reaxx FF

  iRASPA/RASPA2#61 · Filter by author inangoi opened on May 19, 2025

• Error

  iRASPA/RASPA2#59 · Filter by author MishaalIrfan opened on Nov 27, 2024
  1

• INSTALLING RASPA

  iRASPA/RASPA2#58 · Filter by author Ekugbeunity opened on Oct 16, 2024

• Question about force field parameters

  iRASPA/RASPA2#57 · Filter by author CarvFS opened on Sep 23, 2024

• Overestimation of Helium Void Fraction (HVD)

  iRASPA/RASPA2#56 · Filter by author sofiagrcia opened on Apr 23, 2024

• Creating molecules for more systems than the maximum allowed: 1

  iRASPA/RASPA2#55 · Filter by author zhangshd opened on Mar 25, 2024
  2

• Warning in Raspa simulation

  iRASPA/RASPA2#54 · Filter by author khadeeja5858 opened on Feb 7, 2024

• Installation issue

  iRASPA/RASPA2#50 · Filter by author thenandirajib opened on Aug 2, 2023
  1

• Density plot generation - one plot per site instead of one plot per guest?

  iRASPA/RASPA2#48 · Filter by author BurnerJ opened on Jul 4, 2023

• Installation

  iRASPA/RASPA2#41 · Filter by author ssadman2 opened on Jun 11, 2023
  1

• Partition function for propene

  iRASPA/RASPA2#40 · Filter by author w-wonder-2023 opened on Apr 19, 2023

• RASPA for a database

  iRASPA/RASPA2#39 · Filter by author alireza68hadi opened on Dec 26, 2022
  2

• Unable to run RASPA2 simulation

  iRASPA/RASPA2#37 · Filter by author silabrata opened on Sep 3, 2022
  1

• Installation not working in RASPA2 directory

  iRASPA/RASPA2#36 · Filter by author sibo opened on Jun 28, 2022
  2

• Missing molecules/* files ?

  iRASPA/RASPA2#34 · Filter by author paulboone opened on Feb 24, 2022

• commmand not found

  iRASPA/RASPA2#33 · Filter by author mamadahmadii opened on Dec 30, 2021

• Could other potential functions be added into RASPA2? like the ReaxFF potential function.

  iRASPA/RASPA2#32 · Filter by author tjugonghao opened on Dec 27, 2021
  1

• The critical temperature, the critical pressure, and the acentric factor of water in TIP5P.def are data of CO2

  iRASPA/RASPA2#30 · Filter by author johnbbbb opened on Dec 13, 2021

• Installation not working with Intel

  iRASPA/RASPA2#29 · Filter by author sdpb opened on Oct 7, 2021
  1

• Potential bug installing RASPA in Ubuntu 20.10

  iRASPA/RASPA2#28 · Filter by author lfsalasg opened on Sep 14, 2021

• Error opening input-file

  iRASPA/RASPA2#26 · Filter by author nk1945 opened on Aug 21, 2021

• Some provided MOFs are not charge-balanced

  iRASPA/RASPA2#25 · Filter by author Andrew-S-Rosen opened on Jul 21, 2021