Search results

MRChem does not work with Python 3.14

Status: Open.

#506 In MRChemSoft/mrchem;

· susilehtola opened on Jun 12, 2025

DeltaSCF calulations with exact exchange produce wrong results (MPI)

Status: Open.

#493 In MRChemSoft/mrchem;

· msnik1999 opened on Sep 3, 2024

Output depending on print level fails with MPI

Status: Open.

#492 In MRChemSoft/mrchem;

· msnik1999 opened on Sep 3, 2024

Failing response SCF test

bug

Status: Open.

#487 In MRChemSoft/mrchem;

· stigrj opened on May 30, 2024

PBC

Status: Open.

#485 In MRChemSoft/mrchem;

· sanshar opened on May 11, 2024

Missing } in input file not detected

Status: Open.

#482 In MRChemSoft/mrchem;

· lratcliff opened on Apr 25, 2024

Numerical problems with relativistic zora calculations

Status: Open.

#474 In MRChemSoft/mrchem;

· moritzgubler opened on Nov 17, 2023

Libxc interface?

Status: Open.

#472 In MRChemSoft/mrchem;

· susilehtola opened on Nov 14, 2023

Running solvent in MPI doesn't change the update, and cant converge

bug

Status: Open.

#462 In MRChemSoft/mrchem;

· Gabrielgerez opened on Sep 20, 2023

mrchem 1.1.x do not install libraries any more

Status: Open.

#448 In MRChemSoft/mrchem;

· susilehtola opened on Jan 22, 2023

Broken when mrcpp uses OpenMPI: ld: error: undefined symbol: mrcpp::SharedMemory::SharedMemory(int, int)

Status: Open.

#438 In MRChemSoft/mrchem;

· yurivict opened on Nov 14, 2022

Installing in mac

docsAnything about the MRChem documentationAnything about the MRChem documentation

Status: Open.

#431 In MRChemSoft/mrchem;

· Gabrielgerez opened on Oct 6, 2022