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1 - 28 of 28 search results for :pc53 24 / |u:www-wales.ch.cam.ac.uk where 0 match all words and 28 match some words.

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  2. Index of /examples/OPTIM/rbaatip4p

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/rbaatip4p/
    2011-10-04 06:24. 1.0K. ... 2010-06-29 12:24. 406. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  3. Index of /~wales/CCD/Fe_GAP_nanoparticles

    https://www-wales.ch.cam.ac.uk/~wales/CCD/Fe_GAP_nanoparticles/
    2023-02-24 15:07. 2.5M. ... 2023-02-24 15:11. 73K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  4. Index of /examples/GMIN/C60

    https://www-wales.ch.cam.ac.uk/examples/GMIN/C60/
    Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_6351. ... Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_6352.

  5. Index of /examples/OPTIM/LJ38.index2paths

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38.index2paths/
    Index of /examples/OPTIM/LJ38.index2paths. 2022-01-24 15:36. 6.7K. ... 2022-01-24 15:33. 60K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  6. Index of /examples/GMIN/Si7

    https://www-wales.ch.cam.ac.uk/examples/GMIN/Si7/
    2022-07-05 10:24. 1.7K. ... 2022-07-05 10:24. 4.3K.

  7. Index of /examples/GMIN/C7

    https://www-wales.ch.cam.ac.uk/examples/GMIN/C7/
    Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_6351. ... Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_6352.

  8. Index of /examples/OPTIM/carbon.new

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/carbon.new/
    Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_6351. ... Carbon_GAP_V10_2_LDIter1_kptconsistent_grr6_2b_3b_soap_n12l4_sp9k_delta-2-0.05-0.1.xml.sparseX.GAP_2021_4_21_0_21_17_24_6352.

  9. Index of /examples/PATHSAMPLE/xtb.gfnff.water21

    https://www-wales.ch.cam.ac.uk/examples/PATHSAMPLE/xtb.gfnff.water21/
    2020-07-14 09:24. 9.1K. ... 2020-07-14 09:24. 13K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  10. Index of /examples/OPTIM/qcisb

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/qcisb/
    Index of /examples/OPTIM/qcisb. 2019-03-26 08:00. 239K. 2019-03-26 07:52. 142K. 2019-03-26 07:52. 56K. 2019-03-26 07:53. 58K. 2019-03-26 07:57. 78K. 2019-03-26 07:57. 77K. 2019-03-26 07:57. 76K. 2019-03-26 07:57. 78K. 2019-03-26 07:57. 77K.

  11. Index of /examples/OPTIM/VASP

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/VASP/
    2020-01-29 12:24. 378K.

  12. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.pm/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.pm. 2013-03-01 08:24. 1.7K. ... 2013-03-01 08:24. 91K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  13. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.ef/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.ef. 2013-03-01 08:24. 1.5K. ... 2013-03-01 08:24. 83K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  14. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.rkmin/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.rkmin. 2013-03-01 08:24. 46K. ... 2013-03-01 08:24. 2.5M. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  15. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.pm/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.pm. 2013-03-01 08:24. 1.5K. ... 2013-03-01 08:24. 81K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  16. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.ef/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.ef. 2013-03-01 08:24. 1.4K. ... 2013-03-01 08:24. 78K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  17. Index of /examples/PATHSAMPLE/DisconnectivityGraphs/test.LJ38

    https://www-wales.ch.cam.ac.uk/examples/PATHSAMPLE/DisconnectivityGraphs/test.LJ38/
    2024-03-24 16:13. 805.

  18. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.pm/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.pm. 2013-03-01 08:24. 1.1K. ... 2013-03-01 08:24. 63K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  19. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.ef/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.ef. 2013-03-01 08:24. 1.2K. ... 2013-03-01 08:24. 66K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  20. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.bsmin/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.bsmin. 2013-03-01 08:24. 44K. ... 2013-03-01 08:24. 2.4M. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  21. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.lbfgs/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.lbfgs. 2013-03-01 08:24. 7.2K. ... 2013-03-01 08:24. 394K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  22. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.bsmin/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/ef.bsmin. 2013-03-01 08:24. 42K. ... 2013-03-01 08:24. 2.2M. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  23. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.rkmin/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.rkmin. 2013-03-01 08:24. 48K. ... 2013-03-01 08:24. 2.6M. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  24. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.lbfgs/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.noit.lbfgs. 2013-03-01 08:24. 7.3K. ... 2013-03-01 08:24. 404K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  25. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.bsmin/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.bsmin. 2013-03-01 08:24. 26K. ... 2013-03-01 08:24. 1.4M. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  26. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.rkmin/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.rkmin. 2013-03-01 08:24. 43K. ... 2013-03-01 08:24. 2.3M. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  27. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.lbfgs/
    Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.lbfgs. 2013-03-01 08:24. 6.5K. ... 2013-03-01 08:24. 356K. Apache/2.4.41 (Ubuntu) Server at www-wales.ch.cam.ac.uk Port 443.

  28. Index of…

    https://www-wales.ch.cam.ac.uk/examples/PATHSAMPLE/peptide-energy-landscape-exploration-main/11optimise_data_params/opfiles/
    Index of /examples/PATHSAMPLE/peptide-energy-landscape-exploration-main/11optimise_data_params/opfiles. 2023-05-18 16:07. 561. 2023-05-18 16:07. 4.0K. 2023-05-18 16:07. 4.0K. 2023-05-18 16:07. 4.0K. 2023-05-18 16:07. 4.0K. 2023-05-18 16:07. 4.0K.

  29. Index of…

    https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/newconnect.bfgsts.noit.lbfgs/
    2013-03-01 10:24. 1.9K. ... 2013-03-01 10:24. 2.6K.

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