Ticket List/Search - MolDS

ID	Open Date	Last Update	Summary	Owner	Reporter	Type	MileStone	Priority	Severity	Status	Resolution
27045	2012-01-04 13:35	2012-01-12 16:17	License	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	8	8	Closed	None
29535	2012-09-13 12:17	2012-09-13 14:52	Unit of pddgExponent is incorrect	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	7	4	Closed	Fixed
28699	2012-06-12 10:07	2012-06-12 11:22	Speed up Mndo::RotateTwoElecTwoCoreDiatomicFirstDerivativesToSpaceFramegc	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	7	7	Closed	Fixed
28664	2012-06-07 23:09	2012-06-07 23:18	Enable PM3-D and AM1-D to run MD, RPMD, and OPTIMIZATION.	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	7	7	Closed	None
27847	2012-03-16 18:59	2012-03-17 01:19	Reverse of eigen vectors	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	7	7	Closed	Fixed
27831	2012-03-14 19:49	2012-06-08 19:21	Speed up Mndo::RotateTwoElecTwoCoreDiatomicToSpaceFramegc	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	7	7	Closed	None
27830	2012-03-14 19:46	2012-10-09 17:53	Make BlasWrapper	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	7	7	Closed	None
27453	2012-02-08 20:38	2012-02-08 20:40	Parallelization bug in Mndo::CalcForce	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	7	7	Closed	None
27044	2012-01-04 13:34	2012-01-05 23:32	Malloc should be in try-region.	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	7	7	Closed	Fixed
27043	2012-01-04 10:16	2012-01-04 15:23	MallocerFreer::Malloc is modifed to void-return.	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	7	7	Closed	None
27042	2012-01-04 10:13	2012-01-09 18:25	Malloc should not called in constructor in Atom.cpp and Molecule.cpp	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	7	7	Closed	Fixed
30083	2012-11-13 12:26	2012-11-14 17:52	Avoid overflow of "int" in the "MallocerFrrer"	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	6	6	Closed	Fixed
29764	2012-10-06 17:06	2012-10-06 17:31	Segmentation fault in g++ for Mndo.cpp in Rev. 1049	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	6	6	Closed	Fixed
28452	2012-05-20 11:47	2012-05-20 11:58	Output of core dipole moment	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	6	5 - Medium	Closed	None
27974	2012-03-30 18:21	2012-04-01 01:00	DensityLogger::CalcOrigin should be written in HoleDensityLogger and ParticleDensityLogger, respectively.	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	6	5 - Medium	Closed	Fixed
27279	2012-01-29 03:16	2012-01-30 10:31	Print control	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	6	6	Closed	None
30217	2012-11-29 10:50	2012-11-29 19:23	Update doc/README.txt for ver0.2	mikiya_fujii	mikiya_fujii	Support Request	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
30208	2012-11-28 13:47	2012-11-29 03:36	Estimate of "Block size" is needed each time that DSYSV is called.	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	5 - Medium	4	Closed	Fixed
30207	2012-11-28 13:40	2012-11-28 14:05	Versions of OpneBLAS and Boost should not been assigned in Makefile	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
30111	2012-11-15 18:28	2012-11-16 19:09	Parallelize ZindoS::GetElectronicTransitionDipoleMoment	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
29192	2012-08-07 16:02	2012-08-07 17:39	Assignment of input-file not only standard redirect	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
28900	2012-07-02 16:25	2012-07-08 22:14	missign of the test of optimization of conjugate gradient	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	None
28785	2012-06-19 17:52	2012-06-20 01:37	-lboost_random is not needed.	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	None
28781	2012-06-19 10:39	2012-06-20 01:39	throw in omp-region	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
28554	2012-05-29 12:34	2012-09-28 00:13	Analytic second derivative for MNDO and etc.	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
28440	2012-05-19 23:54	2012-05-20 11:20	AM1-D	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
28439	2012-05-19 23:54	2012-05-20 05:01	PM3-D	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
28419	2012-05-18 10:50	2012-05-20 00:03	Modify output format	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
28358	2012-05-12 00:00	2012-05-17 10:49	dipole moment of excited states	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
28186	2012-04-27 15:48	2012-04-27 15:56	Always calculate exciton-energies	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
28073	2012-04-13 17:58	2012-04-19 18:15	Overlap between AOs including d-orbitals	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27972	2012-03-30 17:29	2012-04-01 06:20	MO in memory for particle and hole plot	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	None
27971	2012-03-30 17:29	2012-04-02 01:03	Exciton binding energy	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	None
27956	2012-03-27 23:01	2012-03-30 18:12	opemMP-parallel densityLogger and MOLogger	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27851	2012-03-16 23:15	2012-03-16 23:20	Make test output be simple	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27848	2012-03-16 21:25	2012-03-17 03:00	mkl_wrapper::LapackWrapper.* is renamed	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	None
27829	2012-03-14 19:45	2012-03-17 02:19	change how to include "mkl.h"	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27782	2012-03-08 22:20	2012-03-16 22:49	van der Waals correction	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27646	2012-02-23 15:34	2012-02-27 17:35	hole and particle density plot	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27638	2012-02-22 17:30	2012-02-22 18:45	Output coefficients of CIS-eigenvector	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27572	2012-02-17 11:55	2012-05-17 10:49	transition dipole moment	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27571	2012-02-17 11:54	2012-05-14 17:00	dipole moment of ground state	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27567	2012-02-16 21:51	2012-02-16 22:35	Using stack is replaced to using heap (Cndo2::CalcOrbitalElectronPopulation)	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27475	2012-02-10 10:25	2012-02-12 01:14	Change specification optimize::SteepestDescent.	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27474	2012-02-10 10:12	2012-02-10 11:02	Create Factory-namespace	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27465	2012-02-09 16:54	2012-02-12 02:22	Show SCF and CIS results	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27311	2012-01-30 12:29	2012-10-10 10:51	Same center problem for AO overlap	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Won't Fix
27276	2012-01-29 00:21	2012-01-29 00:22	Change the specification of checking MD	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Duplicate
27275	2012-01-29 00:20	2012-01-29 00:23	Change the specification of checking MC condition.	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Duplicate
27232	2012-01-24 20:25	2012-02-04 18:30	opt	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27173	2012-01-19 16:16	2012-01-29 03:00	Error for excited state MC with CNDO2 or INDO	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	None
27172	2012-01-19 16:15	2012-01-29 02:59	Error for Excited Dynamics with Zindo/S	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	None
27162	2012-01-18 19:49	2012-02-08 12:23	COM of Molecular-class	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Won't Fix
27131	2012-01-14 02:05	2012-01-14 02:07	Validate MC and MD conditions for excited states	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27121	2012-01-13 09:42	2012-01-13 10:07	Test of translate, rotation and principal axis	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27120	2012-01-13 09:42	2012-01-13 21:15	ElectronicFactory class	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	None
27119	2012-01-13 09:41	2012-01-13 21:17	SimulationType Enum	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27112	2012-01-12 16:16	2012-01-19 10:39	Canonical MC	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27096	2012-01-10 16:01	2012-01-30 11:09	Adiabtic RPMD	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27075	2012-01-07 19:20	2012-01-10 14:49	copy functions of molecule-class	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27059	2012-01-05 23:35	2012-01-06 00:25	NULL check in Malloc and Free	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27056	2012-01-05 13:45	2012-01-10 15:24	update test-result	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27049	2012-01-04 19:37	2012-01-04 21:04	More parallelization of Cndo2::DoesSCF	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	None
27048	2012-01-04 18:24	2012-01-04 18:49	Make function to output date in string-data.	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	None
27047	2012-01-04 15:40	2012-01-06 20:53	set heap max	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
27027	2011-12-31 16:52	2012-11-29 19:21	Test for ver0.2	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
26388	2011-09-25 23:23	2012-02-08 12:31	Logger	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	None
29121	2012-07-27 01:15	2012-07-27 01:52	PrintController::OutputLog(boost::format)	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	4	4	Closed	Fixed
27278	2012-01-29 01:38	2012-01-29 01:41	InputParser::CheckHoge is renamed	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	4	4	Closed	None
27114	2012-01-12 19:56	2012-10-05 21:30	Error handling AtomFactory	mikiya_fujii	mikiya_fujii	Bugs	ver0.2 (closed)	4	4	Closed	Works For Me
27046	2012-01-04 13:37	2012-01-05 10:41	Modify messages for memory usage in MallocerFreer	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	4	4	Closed	None
26750	2011-11-16 18:51	2012-02-08 14:22	speed up Mndo::GetKNR(KR)Element	mikiya_fujii	mikiya_fujii	Feature Requests	ver0.2 (closed)	4	4	Closed	None
28645	2012-06-05 23:29	2012-06-11 19:07	Link with LAPACK	mikiya_fujii	ktns	Feature Requests	ver0.2 (closed)	3	3	Closed	Fixed
28644	2012-06-05 21:38	2012-06-05 23:50	Refactoring of Makefile	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	3	3	Closed	Fixed
27110	2012-01-12 13:50	2012-01-12 16:17	Rename DoesHogeHoge() to DoHogeHoge()	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	3	3	Closed	Fixed
27057	2012-01-05 13:47	2012-01-06 03:53	Refactoring of welcome and fairwel message	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	3	3	Closed	Fixed
30216	2012-11-29 10:47	2012-11-29 10:49	Delete trunk/benchmark	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	2	2	Closed	Fixed
28773	2012-06-18 11:28	2012-06-18 15:43	"explicit" should be added to single argument constructors	mikiya_fujii	mikiya_fujii	Patches	ver0.2 (closed)	2	2	Closed	Fixed

MolDS

Ticket List (78 matches)