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Incorrect SCF when using scalapack for a specific example

Status: Open.

#1132 In nwchemgit/nwchem;

· trdurrant opened on May 28, 2025

Nwchem-7.2.3 fails to compile with gcc-15 -std=gnu23

porting

Status: Open.

#1082 In nwchemgit/nwchem;

· marcindulak opened on Feb 18, 2025

Bug in the input parser of nwxc functional

bug

unsupported

Status: Open.

#1073 In nwchemgit/nwchem;

· iswhy opened on Feb 1, 2025

Nwchem-7.2.3 on Fedora42: hdbm.c:610:9: error: expected identifier or '(' before 'false'

porting

Status: Open.

#1072 In nwchemgit/nwchem;

· marcindulak opened on Jan 25, 2025

performance of 1-e integral codes

Status: Open.

#1058 In nwchemgit/nwchem;

· jeffhammond opened on Dec 18, 2024

apply the transpose elimination trick to EOMCCSD

Status: Open.

#1036 In nwchemgit/nwchem;

· jeffhammond opened on Oct 27, 2024

VEM TDDFT optimizations fail after the first gradient

unsupported

Status: Open.

#1030 In nwchemgit/nwchem;

· edoapra opened on Oct 17, 2024

tce:readint does not seem to work for all cases

Status: Open.

#1028 In nwchemgit/nwchem;

· jeffhammond opened on Oct 15, 2024

Little issue with BQ printing

bug

Status: Open.

#1018 In nwchemgit/nwchem;

· chemsh opened on Sep 12, 2024

property ; all ; end should not include invalid options

Status: Open.

#1017 In nwchemgit/nwchem;

· jeffhammond opened on Sep 7, 2024

xtb in NWCHEM_MODULES not recognized

Status: Open.

#1007 In nwchemgit/nwchem;

· jeffhammond opened on Aug 26, 2024

Inconsistency in naming convention of components of the quadrupole and octupole moments in TCE module

Status: Open.

#974 In nwchemgit/nwchem;

· Mith13 opened on May 31, 2024