Ticket List/Search - MolDS

ID	Open Date	Last Update	Summary	Owner	Reporter	Type	MileStone	Priority	Severity	Status	Resolution
30862	2013-02-28 20:55	2013-12-19 10:47	Abort BFGS optimization if RFO scaling factor is too large	ktns	ktns	Patches	ver0.4.0	6	6	Open	None
27054	2012-01-05 09:49	2012-11-28 14:08	Smart pointa	mikiya_fujii	mikiya_fujii	Patches		5 - Medium	5 - Medium	Open	None
30562	2013-01-22 19:06	2013-01-22 19:06	Add dsyrk routine into BLAS wrapper	ktns	ktns	Patches		4	5 - Medium	Open	None
30234	2012-12-01 13:34	2012-12-01 13:34	Use BLAS routines in BFGS optimization	ktns	ktns	Patches		4	4	Open	None
29125	2012-07-27 08:30	2012-07-27 08:30	Use F,P as DIIS error vector for SCF		ktns	Patches		4	4	Open	None
29122	2012-07-27 01:56	2012-07-27 01:56	Create DIIS-clas for SCF		mikiya_fujii	Patches		4	4	Open	None
31128	2013-04-10 10:06	2013-04-10 10:06	Use task OpenMP clause		ktns	Patches		3	5 - Medium	Open	None
31127	2013-04-10 09:30	2013-04-10 09:30	Use collapse OpenMP clause		ktns	Patches		3	5 - Medium	Open	None
30662	2013-02-02 11:12	2013-02-02 11:12	Make Atom::valence member variable to be const reference to static member variable		ktns	Patches		3	3	Open	None
30382	2012-12-27 15:23	2012-12-27 15:36	Remove -openmp2-report compiler flag	ktns	ktns	Patches		3	3	Open	None
28915	2012-07-05 05:22	2012-07-16 17:08	GDIIS optimization algorithm	ktns	ktns	Patches		3	3	Open	None
30358	2012-12-23 11:03	2012-12-23 11:03	Renaming function SatisfyConvergenceCriterion'		ktns	Patches		2	2	Open	None
28827	2012-06-22 15:42	2012-06-22 15:42	Golden section search algorithm		ktns	Patches		2	2	Open	None
30956	2013-03-14 02:31	2013-12-19 10:27	Use iterator in InputParser		ktns	Patches		1 - Lowest	1 - Lowest	Open	None

MolDS

Ticket List (14 matches)