howto:ic-qmmm
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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
- 200 KB
- bias_template.inp.zip
- 2020/08/21 10:15
- 1.6 KB
- 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-fragment-constraint.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
- 5.7 KB
- cdft-tutorial-water.zip
- 2020/08/21 10:15
- 17.9 KB
- cdft-tutorial-zn.zip
- 2020/08/21 10:15
- 17.1 KB
- cdftci-h2-dissociation.png
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- 2020/08/21 10:15
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- cdftscf.png
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- 2020/08/21 10:15
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- ch3oh_fitpoints.png
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- 2020/08/21 10:15
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- cp2k-sirius-md.png
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- 2020/08/21 10:15
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- cp2k.par.zip
- 2023/08/31 12:49
- 227 B
- delta_kick_analyse.zip
- 2023/10/18 08:45
- 4.2 MB
- fitpoints_1atom.png
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- 2020/08/21 10:15
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- fitpoints_monolayer.png
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- 2020/08/21 10:15
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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
- 5.5 KB
- gemc_nvt_box2.inp.zip
- 2020/08/21 10:15
- 1.1 KB
- graphene_ru.tar.gz
- 2020/08/21 10:15
- 320 KB
- gw2x.zip
- 2021/08/02 15:16
- 4.1 KB
- h2o_cp2k.inp.zip
- 2023/08/31 11:57
- 1 KB
- i-pi-manual.pdf
- 2021/04/16 13:53
- 781.4 KB
- ice_lrigpw.tar.gz
- 2020/08/21 10:15
- 30 KB
- icqmmm.png
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- 2020/08/21 10:15
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- inputfiles.zip
- 2020/08/21 10:15
- 122.2 KB
- irmof-1_repeat.tar.gz
- 2020/08/21 10:15
- 30 KB
- langevin_regions.tgz
- 2020/08/21 10:15
- 394.6 KB
- methanol_nonperiodic.tar.gz
- 2020/08/21 10:15
- 10 KB
- mil-53-al-repeat.tar.gz
- 2020/08/21 10:15
- 340 KB
- output4.out.zip
- 2020/08/21 10:15
- 22.9 KB
- phyiscs_on_boat_20150608.pdf
- 2020/08/21 10:15
- 2.9 MB
- plot.png
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- 2020/08/21 10:15
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- plot2.png
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- 2020/08/21 10:15
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- posthf_examples.zip
- 2024/01/23 14:11
- 6.1 KB
- pt111_1h2o.tar.gz
- 2020/08/21 10:15
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- qe-cp2k-sirius.png
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- 2020/08/21 10:15
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- reaction2.png
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- 2020/08/21 10:15
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- ri_hfx_examples.zip
- 2024/01/19 16:35
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- rtp_field_xas.zip
- 2023/10/18 08:45
- 11.8 MB
- si7ge.tar.gz
- 2020/08/21 10:15
- 882.1 KB
- sodal.zip
- 2021/02/16 16:03
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- stm_tutorial_20150608.tgz
- 2020/08/21 10:15
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- substrate_in_protein.png
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- 2020/08/21 10:15
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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
- 357 B
howto/ic-qmmm.txt · Last modified: 2024/01/03 13:12 by oschuett