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MolDS
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(28 matches)
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MileStoneEqual: ver0.3.0 (closed)
SeverityEqual to 5 - Medium
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32642
2013-12-20 17:20
2013-12-20 17:34
Rearrangement of Makefiles
mikiya_fujii
mikiya_fujii
Patches
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
32641
2013-12-20 17:20
2013-12-20 19:09
make a tag 0.3.0
mikiya_fujii
mikiya_fujii
Bugs
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
32640
2013-12-20 17:07
2013-12-20 17:11
release notes
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
32319
2013-10-23 10:01
2013-12-20 18:56
Sulphur parameters in ZINDO/S
mikiya_fujii
mikiya_fujii
Patches
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
32309
2013-10-17 13:15
2013-10-18 11:10
MolDSException handling in openMP/MPI region
mikiya_fujii
mikiya_fujii
Bugs
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
32113
2013-09-24 19:36
2013-09-24 20:04
resolve row/column major confusion in Blas.cpp
mikiya_fujii
mikiya_fujii
Bugs
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
31730
2013-07-18 16:09
2013-12-19 10:45
Chain MolDSExceptions
ktns
ktns
Patches
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
31728
2013-07-18 00:10
2013-07-18 00:25
Supporting boost1.46.0
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
31712
2013-07-12 13:10
2013-07-12 17:43
Add key value pairs to MolDSException
ktns
ktns
Patches
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
None
31588
2013-06-18 09:48
2013-07-24 16:51
MPI parallelization of CIS
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
31428
2013-05-24 18:13
2013-05-24 18:52
cache of two electron integral in ZindoS
mikiya_fujii
mikiya_fujii
Bugs
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
31421
2013-05-23 18:50
2013-05-23 19:23
Cache of distance between each atom
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
31221
2013-04-25 09:47
2013-08-01 01:28
excited states force of ZINDO/S
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
30867
2013-03-02 01:45
2013-03-02 02:21
prepare doxygen config file
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
30654
2013-02-01 11:31
2013-02-03 13:46
Refactoring of ZIDNO/S to speed up
mikiya_fujii
mikiya_fujii
Patches
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
30621
2013-01-29 14:26
2013-08-29 16:35
Inline expand for small methods
mikiya_fujii
mikiya_fujii
Patches
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
30618
2013-01-29 11:54
2013-01-29 14:26
Cache totalNumberAOs in each method to speed up
mikiya_fujii
mikiya_fujii
Patches
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Won't Fix
30617
2013-01-29 06:42
2013-06-19 20:29
Refactoring how to calculate dipole moments
mikiya_fujii
mikiya_fujii
Patches
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
None
30596
2013-01-26 07:13
2013-01-26 07:24
Speed up Mndo::CalcCISMatrix
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
30554
2013-01-21 18:12
2013-01-23 07:14
Output on/off of DIIS and "eMax"
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
30377
2012-12-26 02:54
2012-12-26 03:10
Bad CFLAGS64 in Makefile
mikiya_fujii
mikiya_fujii
Bugs
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
30331
2012-12-18 23:32
2013-02-22 14:29
Check size of BLAS/LAPACK int
ktns
ktns
Patches
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
30218
2012-11-29 18:33
2013-02-22 14:31
Make make depend' needless
ktns
ktns
Patches
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
28605
2012-05-31 23:40
2012-12-03 23:48
Electron population of excited states
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.3.0 (closed)
5 - Medium
5 - Medium
Closed
Fixed
30560
2013-01-22 15:56
2013-02-22 14:41
Use dsyrk in CalcOrbitalElectronPopulation
ktns
ktns
Patches
ver0.3.0 (closed)
4
5 - Medium
Closed
Fixed
29723
2012-10-02 22:21
2013-07-24 18:42
const GetForce
mikiya_fujii
mikiya_fujii
Patches
ver0.3.0 (closed)
4
5 - Medium
Closed
Fixed
32151
2013-10-01 09:59
2013-10-01 10:04
show version info
mikiya_fujii
mikiya_fujii
Bugs
ver0.3.0 (closed)
3
5 - Medium
Closed
Fixed
32150
2013-10-01 09:30
2013-10-01 09:58
Show README.txt as help
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.3.0 (closed)
3
5 - Medium
Closed
Fixed