Preview

HMBI
- Positional_variance
  - 10K
    - 10K_last150ps_frame0
      - 10K_last150ps_frame0_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame0_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame1
      - 10K_last150ps_frame1_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame1_nmr.out
        
        27.4 kB
    - 10K_last150ps_frame10
      - 10K_last150ps_frame10_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame10_nmr.out
        
        27.4 kB
    - 10K_last150ps_frame11
      - 10K_last150ps_frame11_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame11_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame12
      - 10K_last150ps_frame12_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame12_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame13
      - 10K_last150ps_frame13_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame13_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame14
      - 10K_last150ps_frame14_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame14_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame15
      - 10K_last150ps_frame15_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame15_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame16
      - 10K_last150ps_frame16_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame16_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame17
      - 10K_last150ps_frame17_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame17_nmr.out
        
        27.4 kB
    - 10K_last150ps_frame18
      - 10K_last150ps_frame18_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame18_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame19
      - 10K_last150ps_frame19_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame19_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame2
      - 10K_last150ps_frame2_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame2_nmr.out
        
        27.4 kB
    - 10K_last150ps_frame20
      - 10K_last150ps_frame20_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame20_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame3
      - 10K_last150ps_frame3_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame3_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame4
      - 10K_last150ps_frame4_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame4_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame5
      - 10K_last150ps_frame5_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame5_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame6
      - 10K_last150ps_frame6_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame6_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame7
      - 10K_last150ps_frame7_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame7_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame8
      - 10K_last150ps_frame8_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame8_nmr.out
        
        27.3 kB
    - 10K_last150ps_frame9
      - 10K_last150ps_frame9_nmr.input
        
        8.1 kB
      - 10K_last150ps_frame9_nmr.out
        
        27.4 kB
  - 15K
    - 15K_last150ps_frame0
      - 15K_last150ps_frame0_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame0_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame1
      - 15K_last150ps_frame1_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame1_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame10
      - 15K_last150ps_frame10_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame10_nmr.out
        
        10.4 kB
    - 15K_last150ps_frame11
      - 15K_last150ps_frame11_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame11_nmr.out
        
        27.5 kB
    - 15K_last150ps_frame12
      - 15K_last150ps_frame12_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame12_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame13
      - 15K_last150ps_frame13_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame13_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame14
      - 15K_last150ps_frame14_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame14_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame15
      - 15K_last150ps_frame15_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame15_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame16
      - 15K_last150ps_frame16_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame16_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame17
      - 15K_last150ps_frame17_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame17_nmr.out
        
        10.4 kB
    - 15K_last150ps_frame18
      - 15K_last150ps_frame18_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame18_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame19
      - 15K_last150ps_frame19_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame19_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame2
      - 15K_last150ps_frame2_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame2_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame20
      - 15K_last150ps_frame20_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame20_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame3
      - 15K_last150ps_frame3_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame3_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame4
      - 15K_last150ps_frame4_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame4_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame5
      - 15K_last150ps_frame5_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame5_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame6
      - 15K_last150ps_frame6_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame6_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame7
      - 15K_last150ps_frame7_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame7_nmr.out
        
        27.4 kB
    - 15K_last150ps_frame8
      - 15K_last150ps_frame8_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame8_nmr.out
        
        27.5 kB
    - 15K_last150ps_frame9
      - 15K_last150ps_frame9_nmr.input
        
        8.1 kB
      - 15K_last150ps_frame9_nmr.out
        
        27.4 kB
  - 1K
    - 1K_last150ps_frame0
      - 1K_last150ps_frame0_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame0_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame1
      - 1K_last150ps_frame1_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame1_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame10
      - 1K_last150ps_frame10_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame10_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame11
      - 1K_last150ps_frame11_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame11_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame12
      - 1K_last150ps_frame12_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame12_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame13
      - 1K_last150ps_frame13_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame13_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame14
      - 1K_last150ps_frame14_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame14_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame15
      - 1K_last150ps_frame15_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame15_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame16
      - 1K_last150ps_frame16_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame16_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame17
      - 1K_last150ps_frame17_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame17_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame18
      - 1K_last150ps_frame18_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame18_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame19
      - 1K_last150ps_frame19_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame19_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame2
      - 1K_last150ps_frame2_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame2_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame20
      - 1K_last150ps_frame20_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame20_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame3
      - 1K_last150ps_frame3_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame3_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame4
      - 1K_last150ps_frame4_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame4_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame5
      - 1K_last150ps_frame5_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame5_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame6
      - 1K_last150ps_frame6_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame6_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame7
      - 1K_last150ps_frame7_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame7_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame8
      - 1K_last150ps_frame8_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame8_nmr.out
        
        27.3 kB
    - 1K_last150ps_frame9
      - 1K_last150ps_frame9_nmr.input
        
        8.1 kB
      - 1K_last150ps_frame9_nmr.out
        
        27.3 kB
  - 20K
    - 20K_last150ps_frame0
      - 20K_last150ps_frame0_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame0_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame1
      - 20K_last150ps_frame1_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame1_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame10
      - 20K_last150ps_frame10_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame10_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame11
      - 20K_last150ps_frame11_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame11_nmr.out
        
        27.3 kB
    - 20K_last150ps_frame12
      - 20K_last150ps_frame12_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame12_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame13
      - 20K_last150ps_frame13_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame13_nmr.out
        
        27.3 kB
    - 20K_last150ps_frame14
      - 20K_last150ps_frame14_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame14_nmr.out
        
        27.3 kB
    - 20K_last150ps_frame15
      - 20K_last150ps_frame15_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame15_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame16
      - 20K_last150ps_frame16_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame16_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame17
      - 20K_last150ps_frame17_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame17_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame18
      - 20K_last150ps_frame18_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame18_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame19
      - 20K_last150ps_frame19_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame19_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame2
      - 20K_last150ps_frame2_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame2_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame20
      - 20K_last150ps_frame20_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame20_nmr.out
        
        27.3 kB
    - 20K_last150ps_frame3
      - 20K_last150ps_frame3_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame3_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame4
      - 20K_last150ps_frame4_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame4_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame5
      - 20K_last150ps_frame5_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame5_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame6
      - 20K_last150ps_frame6_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame6_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame7
      - 20K_last150ps_frame7_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame7_nmr.out
        
        27.3 kB
    - 20K_last150ps_frame8
      - 20K_last150ps_frame8_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame8_nmr.out
        
        27.4 kB
    - 20K_last150ps_frame9
      - 20K_last150ps_frame9_nmr.input
        
        8.1 kB
      - 20K_last150ps_frame9_nmr.out
        
        27.4 kB
  - 25K
    - 25K_last150ps_frame0
      - 25K_last150ps_frame0_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame0_nmr.out
        
        27.4 kB
    - 25K_last150ps_frame1
      - 25K_last150ps_frame1_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame1_nmr.out
        
        12.5 kB
    - 25K_last150ps_frame10
      - 25K_last150ps_frame10_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame10_nmr.out
        
        13.4 kB
    - 25K_last150ps_frame11
      - 25K_last150ps_frame11_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame11_nmr.out
        
        27.4 kB
    - 25K_last150ps_frame12
      - 25K_last150ps_frame12_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame12_nmr.out
        
        27.4 kB
    - 25K_last150ps_frame13
      - 25K_last150ps_frame13_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame13_nmr.out
        
        27.5 kB
    - 25K_last150ps_frame14
      - 25K_last150ps_frame14_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame14_nmr.out
        
        27.4 kB
    - 25K_last150ps_frame15
      - 25K_last150ps_frame15_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame15_nmr.out
        
        13.4 kB
    - 25K_last150ps_frame16
      - 25K_last150ps_frame16_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame16_nmr.out
        
        27.5 kB
    - 25K_last150ps_frame17
      - 25K_last150ps_frame17_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame17_nmr.out
        
        27.4 kB
    - 25K_last150ps_frame18
      - 25K_last150ps_frame18_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame18_nmr.out
        
        27.4 kB
    - 25K_last150ps_frame19
      - 25K_last150ps_frame19_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame19_nmr.out
        
        27.4 kB
    - 25K_last150ps_frame2
      - 25K_last150ps_frame2_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame2_nmr.out
        
        27.5 kB
    - 25K_last150ps_frame20
      - 25K_last150ps_frame20_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame20_nmr.out
        
        27.4 kB
    - 25K_last150ps_frame3
      - 25K_last150ps_frame3_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame3_nmr.out
        
        27.4 kB
    - 25K_last150ps_frame4
      - 25K_last150ps_frame4_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame4_nmr.out
        
        13.4 kB
    - 25K_last150ps_frame5
      - 25K_last150ps_frame5_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame5_nmr.out
        
        27.4 kB
    - 25K_last150ps_frame6
      - 25K_last150ps_frame6_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame6_nmr.out
        
        27.4 kB
    - 25K_last150ps_frame7
      - 25K_last150ps_frame7_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame7_nmr.out
        
        27.4 kB
    - 25K_last150ps_frame8
      - 25K_last150ps_frame8_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame8_nmr.out
        
        13.4 kB
    - 25K_last150ps_frame9
      - 25K_last150ps_frame9_nmr.input
        
        8.1 kB
      - 25K_last150ps_frame9_nmr.out
        
        27.4 kB
  - 5K
    - 5K_last150ps_frame0
      - 5K_last150ps_frame0_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame0_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame1
      - 5K_last150ps_frame1_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame1_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame10
      - 5K_last150ps_frame10_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame10_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame11
      - 5K_last150ps_frame11_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame11_nmr.out
        
        27.4 kB
    - 5K_last150ps_frame12
      - 5K_last150ps_frame12_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame12_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame13
      - 5K_last150ps_frame13_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame13_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame14
      - 5K_last150ps_frame14_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame14_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame15
      - 5K_last150ps_frame15_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame15_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame16
      - 5K_last150ps_frame16_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame16_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame17
      - 5K_last150ps_frame17_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame17_nmr.out
        
        27.4 kB
    - 5K_last150ps_frame18
      - 5K_last150ps_frame18_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame18_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame19
      - 5K_last150ps_frame19_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame19_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame2
      - 5K_last150ps_frame2_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame2_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame20
      - 5K_last150ps_frame20_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame20_nmr.out
        
        27.4 kB
    - 5K_last150ps_frame3
      - 5K_last150ps_frame3_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame3_nmr.out
        
        27.4 kB
    - 5K_last150ps_frame4
      - 5K_last150ps_frame4_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame4_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame5
      - 5K_last150ps_frame5_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame5_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame6
      - 5K_last150ps_frame6_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame6_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame7
      - 5K_last150ps_frame7_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame7_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame8
      - 5K_last150ps_frame8_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame8_nmr.out
        
        27.3 kB
    - 5K_last150ps_frame9
      - 5K_last150ps_frame9_nmr.input
        
        8.1 kB
      - 5K_last150ps_frame9_nmr.out
        
        27.3 kB
- Tautomers
  - AZD5718_0001_A
    - AZD5718_0001_A_nmr.input
      
      8.1 kB
    - AZD5718_0001_A_nmr.out
      
      31.6 kB
  - AZD5718_0001_B
    - AZD5718_0001_B_nmr.input
      
      8.1 kB
    - AZD5718_0001_B_nmr.out
      
      31.7 kB
- azd5718_0001_1Hopt
  - .ipynb_checkpoints
    - azd5718_0001_1Hopt-checkpoint.out
      
      29.5 kB
  - azd5718_0001_1Hopt.input
    
    6.6 kB
  - azd5718_0001_1Hopt.out
    
    29.5 kB
- azd5718_0001_1Hopt.xyz
  
  1.4 kB
- azd5718_0003_1Hopt
  - azd5718_0003_1Hopt.input
    
    3.7 kB
  - azd5718_0003_1Hopt.out
    
    26.7 kB
- azd5718_0004_1Hopt
  - azd5718_0004_1Hopt.input
    
    3.7 kB
  - azd5718_0004_1Hopt.out
    
    27.2 kB
- azd5718_0005_1Hopt
  - azd5718_0005_1Hopt.input
    
    6.6 kB
  - azd5718_0005_1Hopt.out
    
    29.6 kB
- azd5718_0015_1Hopt
  - azd5718_0015_1Hopt.input
    
    6.6 kB
  - azd5718_0015_1Hopt.out
    
    29.7 kB
- azd5718_0053_1Hopt
  - azd5718_0053_1Hopt.input
    
    6.6 kB
  - azd5718_0053_1Hopt.out
    
    29.7 kB
- azd5718_0124_1Hopt
  - azd5718_0124_1Hopt.input
    
    6.6 kB
  - azd5718_0124_1Hopt.out
    
    29.8 kB
- azd5718_0126_1Hopt
  - azd5718_0126_1Hopt.input
    
    3.7 kB
  - azd5718_0126_1Hopt.out
    
    27.0 kB
- azd5718_0141_1Hopt
  - azd5718_0141_1Hopt.input
    
    3.7 kB
  - azd5718_0141_1Hopt.out
    
    26.5 kB
- azd5718_0158_1Hopt
  - azd5718_0158_1Hopt.input
    
    6.6 kB
  - azd5718_0158_1Hopt.out
    
    30.6 kB
- azd5718_XRD_1Hopt
  - .ipynb_checkpoints
    - azd5718_XRD_1Hopt-checkpoint.out
      
      29.7 kB
  - azd5718_XRD_1Hopt.input
    
    6.6 kB
  - azd5718_XRD_1Hopt.out
    
    29.7 kB
__MACOSX
- HMBI
  - ._azd5718_0001_1Hopt.xyz
    
    384 Bytes
  - azd5718_0001_1Hopt
    - ._azd5718_0001_1Hopt.input
      
      176 Bytes
    - ._azd5718_0001_1Hopt.out
      
      176 Bytes
  - azd5718_0053_1Hopt
    - ._azd5718_0053_1Hopt.input
      
      176 Bytes
  - azd5718_0126_1Hopt
    - ._azd5718_0126_1Hopt.out
      
      176 Bytes
  - azd5718_0158_1Hopt
    - ._azd5718_0158_1Hopt.out
      
      176 Bytes
  - azd5718_XRD_1Hopt
    - ._azd5718_XRD_1Hopt.input
      
      176 Bytes
    - ._azd5718_XRD_1Hopt.out
      
      176 Bytes

HMBI.zip