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(56 matches)
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MileStoneEqual: ver0.2 (closed)
StatusEqual: Closed
SeverityEqual to 5 - Medium
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MileStone
Component
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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