MileStone: ver0.2

  • Memory(heap) limits
  • Rotation of a molecule
  • Translation of a molecule
  • Principal axes of a molecule
  • Dipole moments
  • Transition dipole moments
  • Geometry optimization
  • Frequencies(second derivatives)
  • Van der Waals corrections
  • Drawing hole or electron population in excited states
  • Exciton energies
  • Using BLAS
  • Print level control (but, only developers can use it)
  • Canonical MC
  • Adiabatic RPMD
  • GCC and INTEL
  • and etc...
Status: Closed at 2012-11-30
100%
   
Resolved Tickets
84
Open Tickets
0

Ticket Status of this milestone

None

1/1

mikiya_fujii

78/78

ktns

3/3

okymmolds

2/2

Bugs

22/22

Support Request

1/1

Patches

28/28

Feature Requests

33/33

8

1/1

7

10/10

6

5/5

5 - Medium

55/55

4

5/5

3

6/6

2

2/2

8

1/1

7

9/9

6

3/3

5 - Medium

56/56

4

7/7

3

6/6

2

2/2