Attachment 'The DELTA-HF energy'

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  • [get | view] (2021-02-19 14:34:07, 1.5 KB) [[attachment:Eint-SAPTDFT-aTZ-PBE0CS00.dat]]
  • [get | view] (2021-02-19 14:37:03, 1.2 KB) [[attachment:Min1-Hb1.geom]]
  • [get | view] (2021-02-19 14:37:17, 1.2 KB) [[attachment:Min2-S1.geom]]
  • [get | view] (2021-02-19 14:37:38, 1.2 KB) [[attachment:Min3-S2.geom]]
  • [get | view] (2021-02-19 14:37:52, 1.2 KB) [[attachment:Min4-T1.geom]]
  • [get | view] (2021-02-19 14:38:19, 1.2 KB) [[attachment:Min5-T2.geom]]
  • [get | view] (2021-02-19 14:31:19, 0.1 KB) [[attachment:Running the Delta-HF calculations]]
  • [get | view] (2021-02-19 14:32:29, 3.1 KB) [[attachment:Summary of SAPT(DFT) energies]]
  • [get | view] (2021-02-19 14:32:48, 2.0 KB) [[attachment:The DELTA-HF energy]]
  • [get | view] (2021-02-19 14:29:44, 1.3 KB) [[attachment:Using batch_camcasp.py]]
  • [get | view] (2021-02-19 14:33:34, 2.0 KB) [[attachment:Using extract_saptdft.py]]
  • [get | view] (2021-02-19 14:33:17, 1.0 KB) [[attachment:extract_saptdft.py help]]
  • [get | view] (2021-02-19 14:29:21, 1.0 KB) [[attachment:globalminconfig_ordered.geom]]
  • [get | view] (2021-02-19 14:35:49, 1.6 KB) [[attachment:pyridine2-deltahf-scan.clt]]
  • [get | view] (2021-02-19 14:35:31, 1.7 KB) [[attachment:pyridine2-saptdft-scan.clt]]
  • [get | view] (2021-02-19 14:36:48, 0.2 KB) [[attachment:run-deltahf.command]]
  • [get | view] (2021-02-19 14:36:21, 0.2 KB) [[attachment:run-saptdft.command]]
  • [get | view] (2021-02-19 14:34:26, 47.3 KB) [[attachment:water2-globalmin.png]]
  • [get | view] (2021-02-19 14:29:03, 0.9 KB) [[attachment:water2_deltahf_scan.clt]]
  • [get | view] (2021-02-19 14:28:38, 1.3 KB) [[attachment:water2_saptdft_scan.clt]]
  • [get | view] (2021-02-19 14:28:13, 74.6 KB) [[attachment:water_dimer.png]]
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