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15:15, 23 July 2026 Drc71 talk contribs deleted page Installing Slack (content was: "===Installing Slack on department machines === This is probably not necessary anymore. sudo apt-get slack works, maybe.... ====Ubuntu==== # Download "Slack.deb" from: https://slack.com/intl/en-gb/downloads/linux (NB you need to search a bit for the .deb file as the default download is a .rpm. As at 2025/01/25 I found '''slack-desktop-4.41.105-amd64.deb''') # <li value="2"> Make a directory and run dpkg replacing the with the appropriate file name. mkdir /scratch...")
12:25, 23 July 2026 Drc71 talk contribs deleted page Template (content before blanking was: "= Project Title = == Project aims/abstract == == Current state of the project and next steps == == Useful skills and knowledge == This project requires the knowledge of the following: === Theoretical === * Familiarity with the integral types of electronic structure theory (including their symmetries), and the efficient process of integral transformation * Basic notions of linear algebra, and matrix decomposition techniques * Understanding the mindset of...")
12:25, 23 July 2026 Drc71 talk contribs deleted page Project List (content before blanking was: "= Various Projects = Template == Stochastic Coupled Cluster == Stochastic Density Fitting Stochastic Coupled Cluster Perturbation Scaling and Benchmarking studies Fast Randomized Iteration == He Bubbles == ab initio studies of excited states of clusters")
11:57, 23 July 2026 Drc71 talk contribs moved page QCMagic to QCMagic (Legacy)
11:53, 23 July 2026 Drc71 talk contribs moved page Fast Randomized Iteration to Fast Randomised Iteration
11:52, 23 July 2026 Drc71 talk contribs created page Project Template (Created page with "= Project Title = == Project aims/abstract == == Current state of the project and next steps == == Useful skills and knowledge == This project requires the knowledge of the following: === Theoretical === * Familiarity with the integral types of electronic structure theory (including their symmetries), and the efficient process of integral transformation * Basic notions of linear algebra, and matrix decomposition techniques * Understanding the mindset of scaling a...")
11:52, 23 July 2026 Drc71 talk contribs created page Templated Projects (Created page with "= Various Projects = Template == Stochastic Coupled Cluster == Stochastic Density Fitting Stochastic Coupled Cluster Perturbation Scaling and Benchmarking studies Fast Randomized Iteration == He Bubbles == ab initio studies of excited states of clusters")
11:43, 23 July 2026 Drc71 talk contribs created page Transferring files between computers (Created page with "=File Transfer Protocol= You may want to transfer files between department machines and your computer. The standard way is to ''scp'' via the terminal with commands : UPLOAD : scp -o ProxyCommand="ssh crsid@barbican.ch.cam.ac.uk nc machinename 22" LocalPath/FileName crsid@machinename.ch.cam.ac.uk:/RemotePath DOWNLOAD : scp -o ProxyCommand="ssh crsid@barbican.ch.cam.ac.uk nc machinename 22" crsid@machinename.ch.cam.ac.uk:/RemotePath/FileName LocalPath H...")
11:35, 23 July 2026 Drc71 talk contribs deleted page Vim (content was: " I include the following in my ~/.exrc file <code> function Log() :sp ~/Log :$ :silent r!date +\%n\%F.\%X\%t\%c :silent r!pwd endfunction map ;; :call Log()<CR> </code> This will cause the ~/Log file to be opened when ;; is pressed and can help you keep a logbook of commands --ajwt3 (talk) 16:46, 23 September 201...", and the only contributor was "Ajwt3" (talk))
11:35, 23 July 2026 Drc71 talk contribs deleted page Papers (content was: "{| |Jensen || ETNOCI |- |Filip || MRCC |- |Cardamone || FPGA_VMC |- |Cardamone || FPGA_DMC |- |Vigor || FPGA_FCIQMC |- |Neufeld || PowerPitzer |- |Neufeld/Spencer/Thom || HANDE parallel |- |Blunt/Malone/Neufeld/Scott/Spencer/Thom || HANDE |- |Thom || QuasiNewton |- |Thom || Solids |- |Thom || ModelFCIQMC |- |Scott || iCCMC? |- |}")
11:34, 23 July 2026 Drc71 talk contribs deleted page Coding in QChem (content was: "Q-Chem is a large quantum chemistry package developed by many groups around the world. <div style="text-align: center; font-size: 300%; font-weight: bold;">REDACTED</div> It is proprietary.")
11:31, 23 July 2026 Drc71 talk contribs deleted page Sandbox (content was: "<div style="text-align: center;"> <timeline> # Constants Define $width = 1200 Define $height = 1100 Define $headerx = -520 # -width/2 + 80 Define $headery = -3 Define $bigbang = 01/01/2010 Define $bigcrunch = 30/07/2025 # Canvas settings ImageSize = width:$width height:$height PlotArea = right:20 left:150 bottom:100 top:0 AlignBars = justify Legend = columns:4 left:220 top:50 columnwidth:160 DateFormat = dd/mm/yyyy Period = from:$bigbang till:$bigcrunch Time...")
11:31, 23 July 2026 Drc71 talk contribs deleted page Paper submission (content was: "This page will serve as a guide as to how to submit a paper for publication.", and the only contributor was "Hynl2" (talk))
11:31, 23 July 2026 Drc71 talk contribs deleted page IFS Storage (content was: "#REDIRECT Storage", and the only contributor was "Ajwt3" (talk))
11:30, 23 July 2026 Drc71 talk contribs deleted page Ten Git-mmandments (content was: "Herein lies a compilation of Git-related wisdom, disobey at your own risk!", and the only contributor was "Tkl35" (talk))
11:30, 23 July 2026 Drc71 talk contribs deleted page Research Data (content was: "", and the only contributor was "Lc892" (talk))
11:29, 23 July 2026 Drc71 talk contribs deleted page Past Summer Interns (content before blanking was: "=Past Summer Interns= ===2023=== {| class="wikitable" ! style="width: 20ex;" |'''Name''' || style="width: 50ex;" | '''Project''' || style="width: 24ex;" | '''Machine''' |- | Theo Hatcher || Excited States and RevQCMagic || gritstone |- | Bence Csakany || Quantum Computing on GPUs and FPGAs || obsidian |- | Miriam Al-Hadithi || LCLU Astrochemistry || hylas |- | Peter Yang || Hamiltonian decomopositions in Quantum Computing || chiron |} ===2022=== {| class="wik...")
11:08, 23 July 2026 Drc71 talk contribs deleted page Test (content was: "{{Special:IframePage}}", and the only contributor was "Rc454" (talk))
14:48, 28 May 2026 Lc892 talk contribs created page Research Data (Research Data Management Guidelines)
12:55, 31 March 2026 Jst55 talk contribs created page Parsing a QChem Output File (Created page with "__TOC__ ==Summary==")
21:01, 30 March 2026 Jst55 talk contribs created page Configurations and States (Created page with "At the core of RevQCMagic are Configurations and States. Together these describe an entire system. Take ground-state H2 with electronic configuration (1s)2, and ground-state HeH+ also with electronic configuration (1s)2. These two systems have different Configuration, but the same State. Now consider ground-state H2 with electronic configuration (1s)2 and H2+ with electronic configu...")
17:03, 30 March 2026 Jst55 talk contribs created page Creating a QChem Input File (Created page with "==Creating a QChem Input File==")
17:02, 30 March 2026 Jst55 talk contribs created page RevQCMagic (Created page with "==Quick Guides== Creating a QChem Input File ==Core Concepts== Configurations and States")
16:38, 30 March 2026 User account Jst55 talk contribs was created automatically
10:35, 30 March 2026 Drc71 talk contribs uploaded File:PlayaDeLaCaleta.jpg
10:35, 30 March 2026 Drc71 talk contribs created page File:PlayaDeLaCaleta.jpg
15:39, 25 March 2026 Drc71 talk contribs deleted page Storage (content was: "= Backed-up storage = There are a number of places you can store files off your workstation. Note that <code>/scratch</code> on your workstation and <code>cerebro:/sharedscratch</code> are *not* backed up. <code>~/thom-fs-common</code>, <code>~/thom-fs-nethome</code> and <code>~/theory-fs-common</code> are mounted to your workstation. <code>cerebro:/filestore</code> contains 37Tb backed-up storage. Avoid copying large amounts of 'useless' data (e.g. scratch files which can...")
15:13, 25 March 2026 Drc71 talk contribs moved page Past Group Meetings to Group Meetings
13:08, 24 March 2026 Drc71 talk contribs uploaded File:BENIDORM.jpeg
13:08, 24 March 2026 Drc71 talk contribs created page File:BENIDORM.jpeg
11:19, 24 March 2026 Drc71 talk contribs created page Summer Interns (Created page with "A list of past summer interns is available here here. A list of the current or most recent interns is given. {| class="wikitable" ! style="width: 20ex;" |'''Name''' || style="width: 20ex;" | '''Start date''' || style="width: 20ex;" | '''End date''' |- |Tom Edwards|| 7th July || 29th August |- |Nestor Novakovic || 30th June || 5th September |- |Petar Panayotov|| 15th July || 15th September |- |Divye Baid|| 30th June || 22nd August |- |...|| ....")
10:19, 24 March 2026 Drc71 talk contribs created page Installing Slack (Created page with "===Installing Slack on department machines === ====Ubuntu==== # Download "Slack.deb" from: https://slack.com/intl/en-gb/downloads/linux (NB you need to search a bit for the .deb file as the default download is a .rpm. As at 2025/01/25 I found '''slack-desktop-4.41.105-amd64.deb''') # <li value="2"> Make a directory and run dpkg replacing the with the appropriate file name. mkdir /scratch/crsid/slack dpkg -x Slack.deb /scratch/crsid/slack # <li v...")
10:16, 24 March 2026 Drc71 talk contribs created page Connecting Machines (Created page with "= How to connect to department machines = ===On Mac/WSL=== # Check you have an Admitto account and collect your password from https://www.ch.cam.ac.uk/computing/admitto-service # The bastion host barbican.ch.cam.ac.uk requires ssh keys and an MFA token to log in. Instructions can be found here: https://www.ch.cam.ac.uk/computing/network-bastion-host # In the terminal run the command ''ssh -X crsid@barbican.ch.cam.ac.uk'' # When prompted input your Admitto username (crs...")
12:05, 20 January 2026 User account Kk786 talk contribs was created automatically
22:34, 1 December 2025 User account Lw733 talk contribs was created automatically
15:50, 16 October 2025 User account Tb852 talk contribs was created automatically
15:40, 16 October 2025 User account Cm2179 talk contribs was created automatically
15:26, 15 October 2025 User account Drc71 talk contribs was created automatically
07:45, 14 September 2025 Ajwt3 talk contribs created page Fast Randomized Iteration (Created page with "= Project Title = Fast Randomized Iteration approach to Coupled Cluster = Project Phase = proto == Project aims/abstract == L.-H. Lim and J. Weare, Fast randomized iteration: diffusion Monte Carlo through the lens of numerical linear algebra, SIAM Rev. 59 (2017), 547–587, DOI 10.1137/15M1040827. J. Lu and Z. Wang, The full configuration interaction quantum Monte Carlo method through the lens of inexact power iteration, SIAM J. Sci. Comput. 42 (2020), B1–B29, DOI 1...")
20:55, 10 September 2025 User account Rah220 talk contribs was created automatically
11:08, 9 September 2025 Ajwt3 talk contribs created page Template (Created page with "= Project Title = == Project aims/abstract == == Current state of the project and next steps == == Useful skills and knowledge == This project requires the knowledge of the following: === Theoretical === * Familiarity with the integral types of electronic structure theory (including their symmetries), and the efficient process of integral transformation * Basic notions of linear algebra, and matrix decomposition techniques * Understanding the mindset of scaling a...")
11:07, 9 September 2025 Ajwt3 talk contribs created page Stochastic Density Fitting (Created page with "= Development of stochastic density fitting approaches = == Project aims/abstract == One of the main bottlenecks in practical applications of quantum chemistry is the storage and the AO-MO transformation of two-electron integrals. These processes are highly memory intensive, which makes calculations challenging for systems of chemical interest. In this project, we implement a tensor-factorisation-based technique, and exploit the inherent sparsity of the resulting inter...")
11:06, 9 September 2025 Ajwt3 talk contribs created page Project List (Created page with "= Various Projects =")
09:03, 4 August 2025 Lc892 talk contribs uploaded File:Group Punting 2025.jpg
09:03, 4 August 2025 Lc892 talk contribs created page File:Group Punting 2025.jpg
13:10, 3 July 2025 User account Db957 talk contribs was created automatically
11:44, 8 April 2025 User account Cen1001 talk contribs was created automatically
03:04, 2 March 2025 User account Rop24 talk contribs was created automatically
10:20, 21 November 2024 Lc892 talk contribs uploaded File:AJWT group photo 07 11 24 taken by Nathan Pitt University of Cambridge R6B 8515 1 carousel.jpg
10:20, 21 November 2024 Lc892 talk contribs created page File:AJWT group photo 07 11 24 taken by Nathan Pitt University of Cambridge R6B 8515 1 carousel.jpg

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