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1 - 10 of 184 search results for katalk:za31 24 / / / / / |u:www-wales.ch.cam.ac.uk where 0 match all words and 184 match some words.

  1. Results that match 1 of 2 words

  2. LWOTP

    https://www-wales.ch.cam.ac.uk/GMIN.doc/node38.html
    8 May 2024: 3 # three sites class 1 site 0.0 -0.528902226860823 0.0 orient 0.0 0.0 0.0 # 0.0, -2/3 sin 7pi/24, 0.0 class 1 site ... 0.608761429008721 0.264451113430412 0.0 orient 0.0 0.0 0.0 # cos 7pi/24, 1/3 sin 7pi/24, 0.0 class 1 site -0.608761429008721

  3. 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.

  4. TIP4P

    https://www-wales.ch.cam.ac.uk/GMIN.doc/node39.html
    8 May 2024: 0 0.0 0.0 matrix # lj sig eps rep att 1 1 lj 1.0 0.25 2510.4d3 2552.24 # need eps = 1/4 to cancel the 4.0

  5. 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.

  6. Bibliography

    https://www-wales.ch.cam.ac.uk/GMIN.doc/node43.html
    8 May 2024: Next: About this document. Up: GMIN User Guide Previous:Bibliography. D. J. Wales and J. P. K. Doye, J. Phys. Chem. A 101, 5111 (1997). 2. T. V. Bogdan, D. J. Wales and F. Calvo, J. Chem. Phys. 124, 044102 (2006). 3. F. Wang and D. P. Landau, Phys.

  7. Example data Files

    https://www-wales.ch.cam.ac.uk/GMIN.doc/node42.html
    8 May 2024: FREEZE. 21 22 23 24 25 26 27 28 29 30.

  8. Bibliography

    https://www-wales.ch.cam.ac.uk/OPTIM.doc/node67.html
    8 May 2024: Next: About this document. Up: OPTIM User Guide Previous:Bibliography. D. J. Wales, Energy Landscapes, Cambridge University Press, Cambridge (2003). 2. A. D. MacKerell, D. Bashford, M. Bellott, R. L. Dunbrack, J. D. Evanseck, M. J. Field, S. Fischer,

  9. 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.

  10. 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.

  11. 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.

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