howto:pao-ml
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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
- 21.5 KB
- button_goto-google-groups.png
- 284×50
- 2020/08/21 10:15
- 4.3 KB
- cdft-becke-atomicsize.png
- 1920×1440
- 2020/08/21 10:15
- 192.8 KB
- cdft-becke.png
- 1920×1440
- 2020/08/21 10:15
- 188.7 KB
- cdft-fragment-constraint.png
- 1380×1794
- 2020/08/21 10:15
- 814.7 KB
- cdft-tutorial-h2.zip
- 2020/08/21 10:15
- 43.8 KB
- 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
- 1186×917
- 2020/08/21 10:15
- 144.3 KB
- cdftscf.png
- 1397×709
- 2020/08/21 10:15
- 59.1 KB
- ch3oh_fitpoints.png
- 933×934
- 2020/08/21 10:15
- 619.1 KB
- cp2k-sirius-md.png
- 2014×1384
- 2020/08/21 10:15
- 174.7 KB
- 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
- 320×549
- 2020/08/21 10:15
- 101.1 KB
- fitpoints_monolayer.png
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- 2020/08/21 10:15
- 240.8 KB
- fittingpoints_corrugated.png
- 1839×396
- 2020/08/21 10:15
- 563 KB
- 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
- 954×642
- 2020/08/21 10:15
- 103.5 KB
- 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
- 49.8 KB
- plot2.png
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- 2020/08/21 10:15
- 70.9 KB
- posthf_examples.zip
- 2024/01/23 14:11
- 6.1 KB
- pt111_1h2o.tar.gz
- 2020/08/21 10:15
- 170 KB
- qe-cp2k-sirius.png
- 576×432
- 2020/08/21 10:15
- 32.8 KB
- reaction2.png
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- 2020/08/21 10:15
- 189.7 KB
- ri_hfx_examples.zip
- 2024/01/19 16:35
- 7.6 KB
- 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
- 5.3 KB
- stm_tutorial_20150608.tgz
- 2020/08/21 10:15
- 704 KB
- substrate_in_protein.png
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- 2020/08/21 10:15
- 637.8 KB
- ticl4.zip
- 2021/02/16 16:42
- 2.9 KB
- topology_atoms_wat.psf.zip
- 2020/08/21 10:15
- 357 B
![[root]](/howto:pao-ml?ns=&tab_files=files&do=media&tab_details=history&image=howto%3Acdft-fragment-constraint.png){kind=link}
howto/pao-ml.txt · Last modified: 2024/01/03 13:19 by oschuett