howto:geometry_optimisation
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- acetone_tddft.inp.zip
- 2022/07/18 17:53
- 1.3 KB
- au111_guanine.tar.gz
- 2020/08/21 10:15
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- bias_template.inp.zip
- 2020/08/21 10:15
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- bse_example_h2.zip
- 2024/03/21 16:00
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- button_goto-google-groups.png
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- 2020/08/21 10:15
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- cdft-becke-atomicsize.png
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- 2020/08/21 10:15
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- cdft-becke.png
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- 2020/08/21 10:15
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- cdft-tutorial-h2.zip
- 2020/08/21 10:15
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- cdft-tutorial-hirshfeld.zip
- 2020/08/21 10:15
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- cdft-tutorial-water.zip
- 2020/08/21 10:15
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- 2020/08/21 10:15
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- 2020/08/21 10:15
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- cdftscf.png
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- ch3oh_fitpoints.png
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- cp2k-sirius-md.png
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- cp2k.par.zip
- 2023/08/31 12:49
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- delta_kick_analyse.zip
- 2023/10/18 08:45
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- fitpoints_1atom.png
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- 2020/08/21 10:15
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- fitpoints_monolayer.png
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- fittingpoints_corrugated.png
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- 2020/08/21 10:15
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- gemc_nvt_box1.inp.zip
- 2020/08/21 10:15
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- gemc_nvt_box2.inp.zip
- 2020/08/21 10:15
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- graphene_ru.tar.gz
- 2020/08/21 10:15
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- gw2x.zip
- 2021/08/02 15:16
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- h2o_cp2k.inp.zip
- 2023/08/31 11:57
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- i-pi-manual.pdf
- 2021/04/16 13:53
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- ice_lrigpw.tar.gz
- 2020/08/21 10:15
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- 2020/08/21 10:15
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- inputfiles.zip
- 2020/08/21 10:15
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- irmof-1_repeat.tar.gz
- 2020/08/21 10:15
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- langevin_regions.tgz
- 2020/08/21 10:15
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- methanol_nonperiodic.tar.gz
- 2020/08/21 10:15
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- mil-53-al-repeat.tar.gz
- 2020/08/21 10:15
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- output4.out.zip
- 2020/08/21 10:15
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- phyiscs_on_boat_20150608.pdf
- 2020/08/21 10:15
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- 2020/08/21 10:15
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- 2020/08/21 10:15
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- posthf_examples.zip
- 2024/01/23 14:11
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- pt111_1h2o.tar.gz
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- ri_hfx_examples.zip
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- rtp_field_xas.zip
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- si7ge.tar.gz
- 2020/08/21 10:15
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- sodal.zip
- 2021/02/16 16:03
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- stm_tutorial_20150608.tgz
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- ticl4.zip
- 2021/02/16 16:42
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- topology_atoms_wat.psf.zip
- 2020/08/21 10:15
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![[root]](/howto:geometry_optimisation?ns=&tab_files=files&do=media&tab_details=history&image=howto%3Acdft-fragment-constraint.png){kind=link}
howto/geometry_optimisation.txt · Last modified: 2024/01/15 09:23 by oschuett