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acetone_tddft.inp.zip (2022/07/18 17:53 1.3 KB)

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au111_guanine.tar.gz (2020/08/21 10:15 200 KB)

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bias_template.inp.zip (2020/08/21 10:15 1.6 KB)

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bse_example_h2.zip (2024/03/21 16:00 21.5 KB)

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button_goto-google-groups.png (284×50 2020/08/21 10:15 4.3 KB)

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cdft-becke-atomicsize.png (1920×1440 2020/08/21 10:15 192.8 KB)

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cdft-becke.png (1920×1440 2020/08/21 10:15 188.7 KB)

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cdft-fragment-constraint.png (1380×1794 2020/08/21 10:15 814.7 KB)

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cdft-tutorial-h2.zip (2020/08/21 10:15 43.8 KB)

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cdft-tutorial-hirshfeld.zip (2020/08/21 10:15 5.7 KB)

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cdft-tutorial-water.zip (2020/08/21 10:15 17.9 KB)

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cdft-tutorial-zn.zip (2020/08/21 10:15 17.1 KB)

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cdftci-h2-dissociation.png (1186×917 2020/08/21 10:15 144.3 KB)

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cdftscf.png (1397×709 2020/08/21 10:15 59.1 KB)

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ch3oh_fitpoints.png (933×934 2020/08/21 10:15 619.1 KB)

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cp2k-sirius-md.png (2014×1384 2020/08/21 10:15 174.7 KB)

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cp2k.par.zip (2023/08/31 12:49 227 B)

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delta_kick_analyse.zip (2023/10/18 08:45 4.2 MB)

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fitpoints_1atom.png (320×549 2020/08/21 10:15 101.1 KB)

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fitpoints_monolayer.png (652×405 2020/08/21 10:15 240.8 KB)

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fittingpoints_corrugated.png (1839×396 2020/08/21 10:15 563 KB)

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gemc_nvt_box1.inp.zip (2020/08/21 10:15 5.5 KB)

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gemc_nvt_box2.inp.zip (2020/08/21 10:15 1.1 KB)

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graphene_ru.tar.gz (2020/08/21 10:15 320 KB)

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gw2x.zip (2021/08/02 15:16 4.1 KB)

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h2o_cp2k.inp.zip (2023/08/31 11:57 1 KB)

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i-pi-manual.pdf (2021/04/16 13:53 781.4 KB)

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ice_lrigpw.tar.gz (2020/08/21 10:15 30 KB)

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icqmmm.png (954×642 2020/08/21 10:15 103.5 KB)

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inputfiles.zip (2020/08/21 10:15 122.2 KB)

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irmof-1_repeat.tar.gz (2020/08/21 10:15 30 KB)

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langevin_regions.tgz (2020/08/21 10:15 394.6 KB)

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methanol_nonperiodic.tar.gz (2020/08/21 10:15 10 KB)

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mil-53-al-repeat.tar.gz (2020/08/21 10:15 340 KB)

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output4.out.zip (2020/08/21 10:15 22.9 KB)

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phyiscs_on_boat_20150608.pdf (2020/08/21 10:15 2.9 MB)

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plot.png (1138×505 2020/08/21 10:15 49.8 KB)

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plot2.png (1198×505 2020/08/21 10:15 70.9 KB)

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posthf_examples.zip (2024/01/23 14:11 6.1 KB)

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pt111_1h2o.tar.gz (2020/08/21 10:15 170 KB)

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qe-cp2k-sirius.png (576×432 2020/08/21 10:15 32.8 KB)

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reaction2.png (1580×528 2020/08/21 10:15 189.7 KB)

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ri_hfx_examples.zip (2024/01/19 16:35 7.6 KB)

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rtp_field_xas.zip (2023/10/18 08:45 11.8 MB)

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si7ge.tar.gz (2020/08/21 10:15 882.1 KB)

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sodal.zip (2021/02/16 16:03 5.3 KB)

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stm_tutorial_20150608.tgz (2020/08/21 10:15 704 KB)

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substrate_in_protein.png (2000×1500 2020/08/21 10:15 637.8 KB)

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ticl4.zip (2021/02/16 16:42 2.9 KB)

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topology_atoms_wat.psf.zip (2020/08/21 10:15 357 B)

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