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Adding a model to GMIN - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Adding_a_model_to_GMIN6 Jan 2021: finalio.f -- generates output. --mp466 00:24, 8 July 2008 (BST). Retrieved from "". Navigation menu. Personal tools. ... Navigation. Tools. This page was last edited on 8 July 2008, at 00:24. -
Fixing thunderbird links - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Fixing_thunderbird_linksNavigation. Tools. This page was last edited on 13 May 2019, at 13:24. -
Raspberry Pi in the Chemistry Library:About - Raspberry Pi in theā¦
https://wikis.ch.cam.ac.uk/library-pi/wiki/index.php/Raspberry_Pi_in_the_Chemistry_Library:About6 Jan 2021: 01223 336329, 24 hours in advance, so we can ensure that someone is available to lend it to you. -
CamCASP/Notes/8 - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/Notes/86 Jan 2021: Navigation. Tools. This page was last edited on 31 May 2010, at 19:24. -
Adding a model to GMIN - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Adding_a_model_to_GMINfinalio.f -- generates output. --mp466 00:24, 8 July 2008 (BST). Retrieved from "". Navigation menu. Personal tools. Namespaces. Variants. Views. More. Search. -
CamCASP/Numerical - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/Numerical6 Jan 2021: fun! DC -24.50340 9.09293 -0.02501 0.01275 -18.94748 0.05356 ===============================================================================. I can't believe the aQZ/MC result. ... 7426 -3.8415 -6.3363 24.1369 0.6432 0.5905 -19.5499 ====================== -
Simulations using OPEP - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Simulations_using_OPEP4 2.137 5.757 -0.745 ATOM 24 OXT GLU 4 3.977 5.797 -1.795 END. ... ichain.dat contains all fragments of the system. 1 1 24. scale.dat contains the scaling information for the potential. -
CamCASP/ToDo/diskIO - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/ToDo/diskIO6 Jan 2021: 31 lineq_solver_lu 23 3422.38 matrix_read 187396 17104.03 <--- lineq_lu_iter 25 3182.26 matvec_types 9482 3451.95 energy_scan 1 59787.24 df_int 40294 -
CamCASP/ToDo/diskIO - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/CamCASP/ToDo/diskIO187396 17104.03 <--- lineq_lu_iter 25 3182.26 matvec_types 9482 3451.95 energy_scan 1 59787.24 df_int 40294 26046.73 make_oneeint 9480 2970.26 DIaux 7110 -
Adding a model for PATHSAMPLE - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Adding_a_model_for_PATHSAMPLE6 Jan 2021: connectodata.f -- print out new output structures start.<n>, finish.<n>,. --mp466 00:24, 8 July 2008 (BST). -
Adding a model for PATHSAMPLE - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Adding_a_model_for_PATHSAMPLEconnectodata.f -- print out new output structures start.<n>, finish.<n>,. --mp466 00:24, 8 July 2008 (BST). -
Mek-quake Queueing system - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Mek-quake_Queueing_system6 Jan 2021: This can be reduced if we have problems. --Catherine 17:44, 24 August 2006 (BST). -
Setting up - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Setting_up2.342 -3.160 ATOM 23 CE1 PHE 2 11.834 2.503 -2.025 ATOM 24 HE1 PHE 2 12.406 1.886 -2.704 ATOM 25 CZ PHE 2 ... 23 CE1 PHE 2 9.287 0.851 -0.692 ATOM 24 HE1 PHE 2 9.205 -0.191 -0.412 ATOM 25 CZ PHE 2 9.580 1.203 -
Decoding heat capacity curves - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Decoding_heat_capacity_curvesNavigation. Tools. This page was last edited on 15 November 2022, at 14:24. -
Compiling GMIN with CHARMM - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Compiling_GMIN_with_CHARMM6 Jan 2021: Navigation. Tools. This page was last edited on 14 July 2008, at 11:24. -
DisconnectionDPS - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/DisconnectionDPS6 6 -1.8455167037 5823.9083945062 1 2 24 -12.6466356094 5826.9370977040 1 6 17. -
Electronic Structure Group Meetings - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Electronic_Structure_Group_Meetings6 Jan 2021: Navigation. Tools. This page was last edited on 24 February 2014, at 18:33. -
Using GMIN to generate endpoints - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Using_GMIN_to_generate_endpointsNavigation. Tools. This page was last edited on 24 May 2011, at 16:19. -
Conversion between different data file formats - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Conversion_between_different_data_file_formats6 Jan 2021: Navigation. Tools. This page was last edited on 7 October 2008, at 17:24. -
Mek-quake Queueing system - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Mek-quake_Queueing_systemThis can be reduced if we have problems. --Catherine 17:44, 24 August 2006 (BST).
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