User contributions for Jbettenc

25 February 2025

• 14:1214:12, 25 February 2025 diff hist −120 Programming a 2D Ising Model/Accelerating the code Update links. Remove explicit reference to C++. Do not mention SnakeViz and suggest approaching demonstrators instead.
• 13:5313:53, 25 February 2025 diff hist +304 Programming a 2D Ising Model →Getting Help: Add demonstrator information

24 February 2025

• 21:3321:33, 24 February 2025 diff hist +99 Programming a 2D Ising Model →Assessment: Clarify submission format
• 11:5211:52, 24 February 2025 diff hist +541 Programming a 2D Ising Model Add statement about use of GenAI tools.
• 11:2611:26, 24 February 2025 diff hist +1 m Programming a 2D Ising Model/Calculating the energy and magnetisation Formatting of the task description
• 08:4208:42, 24 February 2025 diff hist −204 Programming a 2D Ising Model/Calculating the energy and magnetisation Suppress mention to line numbers in code.

22 February 2025

• 22:3922:39, 22 February 2025 diff hist −12 Programming a 2D Ising Model/Calculating the energy and magnetisation Try to be consistent with nomenclature
• 22:2122:21, 22 February 2025 diff hist −1,550 Programming a 2D Ising Model/Calculating the energy and magnetisation Clean-up all the different (contradictory) recommendations accumulated through the years. Suggest using JupyterLab

21 February 2025

• 10:4810:48, 21 February 2025 diff hist −2 Programming a 2D Ising Model/Introduction to Monte Carlo simulation Adjust links and other minor edits

19 February 2025

• 17:5417:54, 19 February 2025 diff hist −310 m Programming a 2D Ising Model/Introduction to the Ising model Adjust links. Remove reference to lab being done before Statistical Mechanics course. Things should now be aligned.

18 February 2025

• 19:2319:23, 18 February 2025 diff hist −26 m Main Page →Computational Chemistry Lab: Fix link following page redirection
• 19:1819:18, 18 February 2025 diff hist −64 m Programming a 2D Ising Model →Structure of this Experiment: Fix links using new page names
• 19:1519:15, 18 February 2025 diff hist +73 N Third year CMP compulsory experiment/Locating the Curie temperature Jbettenc moved page Third year CMP compulsory experiment/Locating the Curie temperature to Programming a 2D Ising Model/Locating the Curie temperature current
• 19:1519:15, 18 February 2025 diff hist 0 m Programming a 2D Ising Model/Locating the Curie temperature Jbettenc moved page Third year CMP compulsory experiment/Locating the Curie temperature to Programming a 2D Ising Model/Locating the Curie temperature
• 19:1519:15, 18 February 2025 diff hist +72 N Third year CMP compulsory experiment/Determining the heat capacity Jbettenc moved page Third year CMP compulsory experiment/Determining the heat capacity to Programming a 2D Ising Model/Determining the heat capacity current
• 19:1519:15, 18 February 2025 diff hist 0 m Programming a 2D Ising Model/Determining the heat capacity Jbettenc moved page Third year CMP compulsory experiment/Determining the heat capacity to Programming a 2D Ising Model/Determining the heat capacity
• 19:1419:14, 18 February 2025 diff hist +68 N Third year CMP compulsory experiment/The effect of system size Jbettenc moved page Third year CMP compulsory experiment/The effect of system size to Programming a 2D Ising Model/The effect of system size current
• 19:1419:14, 18 February 2025 diff hist 0 m Programming a 2D Ising Model/The effect of system size Jbettenc moved page Third year CMP compulsory experiment/The effect of system size to Programming a 2D Ising Model/The effect of system size
• 19:1419:14, 18 February 2025 diff hist +68 N Third year CMP compulsory experiment/The effect of temperature Jbettenc moved page Third year CMP compulsory experiment/The effect of temperature to Programming a 2D Ising Model/The effect of temperature current
• 19:1419:14, 18 February 2025 diff hist 0 m Programming a 2D Ising Model/The effect of temperature Jbettenc moved page Third year CMP compulsory experiment/The effect of temperature to Programming a 2D Ising Model/The effect of temperature
• 19:1319:13, 18 February 2025 diff hist +64 N Third year CMP compulsory experiment/Accelerating the code Jbettenc moved page Third year CMP compulsory experiment/Accelerating the code to Programming a 2D Ising Model/Accelerating the code current
• 19:1319:13, 18 February 2025 diff hist 0 m Programming a 2D Ising Model/Accelerating the code Jbettenc moved page Third year CMP compulsory experiment/Accelerating the code to Programming a 2D Ising Model/Accelerating the code
• 19:1119:11, 18 February 2025 diff hist +81 N Third year CMP compulsory experiment/Introduction to Monte Carlo simulation Jbettenc moved page Third year CMP compulsory experiment/Introduction to Monte Carlo simulation to Programming a 2D Ising Model/Introduction to Monte Carlo simulation current
• 19:1119:11, 18 February 2025 diff hist 0 m Programming a 2D Ising Model/Introduction to Monte Carlo simulation Jbettenc moved page Third year CMP compulsory experiment/Introduction to Monte Carlo simulation to Programming a 2D Ising Model/Introduction to Monte Carlo simulation
• 19:1119:11, 18 February 2025 diff hist +83 N Third year CMP compulsory experiment/Calculating the energy and magnetisation Jbettenc moved page Third year CMP compulsory experiment/Calculating the energy and magnetisation to Programming a 2D Ising Model/Calculating the energy and magnetisation current
• 19:1119:11, 18 February 2025 diff hist 0 m Programming a 2D Ising Model/Calculating the energy and magnetisation Jbettenc moved page Third year CMP compulsory experiment/Calculating the energy and magnetisation to Programming a 2D Ising Model/Calculating the energy and magnetisation
• 19:1019:10, 18 February 2025 diff hist +74 N Third year CMP compulsory experiment/Introduction to the Ising model Jbettenc moved page Third year CMP compulsory experiment/Introduction to the Ising model to Programming a 2D Ising Model/Introduction to the Ising model current
• 19:1019:10, 18 February 2025 diff hist 0 m Programming a 2D Ising Model/Introduction to the Ising model Jbettenc moved page Third year CMP compulsory experiment/Introduction to the Ising model to Programming a 2D Ising Model/Introduction to the Ising model
• 19:0919:09, 18 February 2025 diff hist −112 Programming a 2D Ising Model Structuring the Getting Help section
• 16:5116:51, 18 February 2025 diff hist −1,678 Programming a 2D Ising Model Start to trim down and update the information about the experiment. Make information more concise and to the point.
• 16:3516:35, 18 February 2025 diff hist +42 N Third year CMP compulsory experiment Jbettenc moved page Third year CMP compulsory experiment to Programming a 2D Ising Model current
• 16:3516:35, 18 February 2025 diff hist 0 m Programming a 2D Ising Model Jbettenc moved page Third year CMP compulsory experiment to Programming a 2D Ising Model

9 January 2025

• 14:5714:57, 9 January 2025 diff hist −18 m Programming a 2D Ising Model/Introduction to Monte Carlo simulation In the paper algorithms are listed in chronological order not in order of importance
• 14:5314:53, 9 January 2025 diff hist −18 m Programming a 2D Ising Model/Introduction to Monte Carlo simulation Use DOI for article link

2 January 2025

• 12:1312:13, 2 January 2025 diff hist +2,100 Vibrational modes Add new interesting molecules
• 11:3811:38, 2 January 2025 diff hist +87 N File:CO2.freq.molden Molden file for a frequency calculation on CO2 with Hartree-Fock and minimum basis set. current
• 11:3711:37, 2 January 2025 diff hist +99 N File:HOD.freq.molden Molden file resulting from a frequency calculation on HDO with Hartree-Fock and a minimal basis set

18 December 2024

• 18:4018:40, 18 December 2024 diff hist +3,312 Vibrational modes Add examples of chloro-methane and methane
• 18:2218:22, 18 December 2024 diff hist +112 N File:CH4.freq.molden Molden file of methane for a frequencies and normal mode calculation using Hartree-Fock and a minimal basis set. current
• 18:2118:21, 18 December 2024 diff hist +118 N File:CH3Cl.freq.molden Molden file of chloro-methane of frequencies and normal modes from an Hartree-Fock calculation with minimal basis set. current
• 18:1818:18, 18 December 2024 diff hist +965 N Vibrational modes Add interactive models of normal modes in simple molecules
• 16:5816:58, 18 December 2024 diff hist +128 N File:H2O.freq.molden Molden file with H2O vibrational frequencies and normal modes obtained from a Hartree-Fock calculation with a minimum basis set.

8 November 2024

• 12:2212:22, 8 November 2024 diff hist 0 m Allene orbitals Jbettenc moved page Allene D2h to Allene orbitals: Better title after including both geometries on same page
• 12:1712:17, 8 November 2024 diff hist +120 m Allene orbitals Fix MO menu on applets
• 11:5711:57, 8 November 2024 diff hist +1,137 Allene orbitals Add twisted geometry and show two structures side by side in a table.
• 11:4311:43, 8 November 2024 diff hist +174 N File:Allene twist.molden Orbitals for allene in twisted configuration (D2d) from a extended Hückel calculation. Only few relevant orbitals most relevant for the C-C bonding character are considered. current
• 00:1800:18, 8 November 2024 diff hist −28 m Allene orbitals Remove atom labels
• 00:1600:16, 8 November 2024 diff hist +1,048 N Allene orbitals Allene subset of molecular orbitals relevant for C-C bonding
• 00:0800:08, 8 November 2024 diff hist +225 N File:Allene planar.molden Orbitals for allene in planar configuration (D2h) from a extended Hückel calculation. Only few relevant orbitals most relevant for the C-C bonding character are considered. Symmetry labels do not match exactly the axes used. current

28 January 2022

• 11:4011:40, 28 January 2022 diff hist −133 Programming a 2D Ising Model →Assessment: Tone down the warning on the submission.