Ticket List/Search - MolDS

ID	Open Date	Last Update	Summary	Owner	Reporter	Type	MileStone	Priority	Severity	Status	Resolution
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
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
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
28955	2012-07-08 22:39	2012-07-11 16:14	parallelization misstake in BFGS	ktns	mikiya_fujii	Bugs	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
28905	2012-07-03 00:59	2012-07-03 02:01	missing of the test of pm3d		mikiya_fujii	Bugs	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
28797	2012-06-19 19:29	2012-06-19 20:17	Shebang for test script	ktns	ktns	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	None
28795	2012-06-19 19:17	2012-06-29 21:17	Continuous allocation for 2 dimensional array	ktns	ktns	Patches	ver0.2 (closed)	5 - Medium	5 - Medium	Closed	Fixed
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

MolDS

Ticket List (56 matches)