MPQC Bugs

Massively Parallel Quantum Chemistry program

Brought to you by: cljanss, evaleev, jpkenny

This project can now be found here.

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# Sort A -> Z Sort Z -> A	Summary▾ Sort A -> Z Sort Z -> A	Milestone▾ Sort A -> Z Sort Z -> A Filter by Milestone	Status▾ Sort A -> Z Sort Z -> A Filter by Status	Owner▾ Sort A -> Z Sort Z -> A Filter by Owner	Created▾ Sort A -> Z Sort Z -> A	Updated▾ Sort A -> Z Sort Z -> A
61	mpqc crashed with SIGABRT in sc::MPQCIn::error()	mpqc2.3	open	Edward Valeev	2013-01-21	2013-01-21
59	"sc::DistArray4_MPIIOFile::clone" must not be declared as v	None	open		2012-03-29	2012-07-22
57	two definitions of FinDispMolecularHessian that do not agree	None	open		2012-03-25	2012-07-22
56	class "sc::AtomInfo::atom" is inaccessible	mpqc/trunk	open		2012-03-18	2012-07-22
53	Problem compiling with libint2	mpqc2.4	open		2011-07-16	2015-01-02
52	iterations to more than 100	mpqc2.4	open		2011-07-08	2012-07-22
51	nij=0 when interatomic distance small	None	open		2011-06-01	2012-07-22
49	mp2r12 test cases fail	mpqc/trunk	open	Edward Valeev	2011-03-31	2012-07-22
48	scdirlist.h polluted with unnecessary defines	None	open		2011-03-31	2012-07-22
47	make check1 tries to run missing tests	None	open	Curtis Janssen	2011-03-31	2012-07-22
46	make check1 tries to run missing tests	None	open		2011-03-31	2012-07-22
43	mp2 from computed wfn BAD_ACCESS	mpqc/trunk	open		2010-12-02	2012-07-22
42	SCF: direct SCF or SCF with cached ERI?	mpqc2.3	open		2010-09-02	2012-07-22
41	Problem with MP2 optimisation on a Bluegene P machine	mpqc/trunk	open		2010-08-13	2014-09-02
40	Check documentation of prerequisites	mpqc/trunk	open	Curtis Janssen	2008-11-01	2012-07-22
38	ARMCIMemoryGrp hangs when localsize==0	mpqc2.3	open		2007-08-20	2012-07-22
37	Wavefunction(KeyVal) does not throw if basis is missing	None	open	Edward Valeev	2007-07-24	2012-07-22
36	Missing linkages in libSC* libraries	None	open		2007-05-18	2012-07-22
35	Internal coordinate singularity	None	open	Joseph P. Kenny	2006-08-24	2012-07-22
34	missing link in the mpqc simple input doc.	mpqc2.3	open		2006-04-27	2012-07-22
22	timing bug with enhanced real time clock	None	open	Joseph P. Kenny	2005-11-08	2012-07-22