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(26 matches)
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32469
2013-11-22 02:30
2013-12-19 10:48
environmental point charges
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.4.0
5 - Medium
5 - Medium
Open
None
31814
2013-07-31 16:15
2014-04-24 19:19
MPI-parallelization
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.4.0
5 - Medium
7
Open
None
30948
2013-03-12 10:19
2013-03-12 10:19
CIS eigenstates input and output for restart
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
30947
2013-03-12 10:19
2013-03-12 10:19
MO input and output for restart
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
30262
2012-12-05 16:34
2012-12-05 16:34
Add dsymm routine into BLAS wrapper
ktns
ktns
Feature Requests
5 - Medium
5 - Medium
Open
None
30154
2012-11-20 01:07
2012-11-20 01:07
dos
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
30153
2012-11-20 01:04
2012-11-28 14:06
Boltzman-distributor
mikiya_fujii
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
29966
2012-10-28 01:16
2012-10-28 01:16
One body electron currenty density
okymmolds
Feature Requests
5 - Medium
5 - Medium
Open
None
29964
2012-10-28 00:43
2012-10-28 00:59
Difference density at coordinate space
okymmolds
Feature Requests
5 - Medium
5 - Medium
Open
None
29957
2012-10-27 03:03
2012-10-27 03:07
Semiempirical UHF (CNDO and INDO)
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
28794
2012-06-19 18:00
2012-06-19 18:00
IRC
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
28793
2012-06-19 17:59
2012-06-19 17:59
Constrained SCF
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
28792
2012-06-19 17:59
2012-10-02 22:36
Semiclassical method (NAHKO)
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
28791
2012-06-19 17:58
2013-12-19 09:12
Semiclassical method (NASCO)
mikiya_fujii
mikiya_fujii
Feature Requests
ver0.4.0
5 - Medium
5 - Medium
Open
None
28790
2012-06-19 17:58
2012-06-19 17:58
Semiclassical method (Herman-Kluk)
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
28789
2012-06-19 17:57
2012-06-19 17:58
Semiclassical method (IVR)
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
28788
2012-06-19 17:57
2012-06-19 17:57
Geometrical constrain in opt, MD, and MC.
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
28787
2012-06-19 17:55
2012-10-06 00:37
FMO
okymmolds
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
28786
2012-06-19 17:52
2012-06-19 17:52
opt to transition state
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
28588
2012-05-31 10:08
2012-11-29 13:21
automake
ktns
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
Fixed
27097
2012-01-10 16:01
2012-11-28 14:08
Non-adiabtic RPMD
mikiya_fujii
mikiya_fujii
Feature Requests
5 - Medium
5 - Medium
Open
None
28774
2012-06-18 15:53
2012-06-18 15:53
Lowdin population analysis
mikiya_fujii
Feature Requests
4
4
Open
None
26390
2011-09-25 23:25
2012-11-28 14:07
Combine with OCTA/GOURMET
mikiya_fujii
mikiya_fujii
Feature Requests
4
5 - Medium
Open
None
29955
2012-10-27 02:46
2012-10-27 02:46
One body electron density at coordinate representation
okymmolds
Feature Requests
3
5 - Medium
Open
None
28921
2012-07-06 02:29
2012-10-06 03:40
velocity scaling in MD
okymmolds
mikiya_fujii
Feature Requests
3
3
Open
None
26387
2011-09-25 23:20
2012-11-28 14:08
wiki(English)
mikiya_fujii
mikiya_fujii
Feature Requests
3
5 - Medium
Open
None