HartreeFock
matplotplusplus
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HartreeFock | matplotplusplus | |
---|---|---|
15 | 26 | |
50 | 3,925 | |
- | - | |
7.1 | 6.5 | |
3 months ago | 18 days ago | |
C++ | C++ | |
GNU General Public License v3.0 only | MIT License |
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HartreeFock
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Help making plot for experiment
For this one I used my own code that draws the chart: https://github.com/aromanro/HartreeFock
- Algoritm pentru verificare daca reshape este posibil fara copiere de date la array multidimensional
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GPT3 is a sad reality
Try to obtain this https://github.com/aromanro/HartreeFock from GPT3 and see what you really get out of it.
- Ce parere aveti despre Chat-GPT? Tocmai ce am creat un mic "shopping" website cu ajutorul lui:
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The connection between math and CS
I have some projects on that topic here: https://github.com/aromanro?tab=repositories since it's one of my hobbies. If I would have to point out one of them for the usage of maths, I could point out this one: https://github.com/aromanro/HartreeFock but there are plenty of other projects there that requires quite a bit of mathematics to understand and implement.
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Where does the math in quantum mechanics get "hard"?
Here is my implementation of that algorithm (together with some other stuff, like perturbation theory, coupled-cluster, configuration-interaction and so on): https://github.com/aromanro/HartreeFock
- Sa iau o pauza de la proiecte personale?
- Did I just understand Quantum Theory?
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What’s your favourite programming project that you’ve completed?
From the open source ones, probably this one: https://github.com/aromanro/HartreeFock It started 'small' then I extended it based on tutorials from here: https://github.com/CrawfordGroup/ProgrammingProjects (and not only).
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Proiecte
Cel mai complex proiect personal e asta: https://github.com/aromanro/HartreeFock
matplotplusplus
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Creating k-NN with C++ (from Scratch)
cmake_minimum_required(VERSION 3.5) project(knn_cpp CXX) # Set up C++ version and properties include(CheckIncludeFileCXX) check_include_file_cxx(any HAS_ANY) check_include_file_cxx(string_view HAS_STRING_VIEW) check_include_file_cxx(coroutine HAS_COROUTINE) set(CMAKE_CXX_STANDARD 20) set(CMAKE_BUILD_TYPE Debug) set(CMAKE_CXX_STANDARD_REQUIRED ON) set(CMAKE_CXX_EXTENSIONS OFF) # Copy data file to build directory file(COPY ${CMAKE_CURRENT_SOURCE_DIR}/iris.data DESTINATION ${CMAKE_CURRENT_BINARY_DIR}) # Download library usinng FetchContent include(FetchContent) FetchContent_Declare(matplotplusplus GIT_REPOSITORY https://github.com/alandefreitas/matplotplusplus GIT_TAG origin/master) FetchContent_GetProperties(matplotplusplus) if(NOT matplotplusplus_POPULATED) FetchContent_Populate(matplotplusplus) add_subdirectory(${matplotplusplus_SOURCE_DIR} ${matplotplusplus_BINARY_DIR} EXCLUDE_FROM_ALL) endif() FetchContent_Declare( fmt GIT_REPOSITORY https://github.com/fmtlib/fmt.git GIT_TAG 7.1.3 # Adjust the version as needed ) FetchContent_MakeAvailable(fmt) # Add executable and link project libraries and folders add_executable(${PROJECT_NAME} main.cc) target_link_libraries(${PROJECT_NAME} PUBLIC matplot fmt::fmt) aux_source_directory(lib LIB_SRC) target_include_directories(${PROJECT_NAME} PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}) target_sources(${PROJECT_NAME} PRIVATE ${LIB_SRC}) add_subdirectory(tests)
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Help making plot for experiment
If you want a C++ solution you can use a library like matplot++.
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Widely-used graphics library
If you want a strict C++ equivalent to SDL the clear answer is SFML. If you just want to visualize 2D/3D data there's matplot++. If you want something slightly higher-level than SDL/SFML (with pre-made UI widgets and such) there's imGUI. If you need an all-in-one GUI solution for desktop or mobile apps there's Qt.
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Embedding matplotlibcpp plot into QT QWidget
If not, then ditch Python and matplotlib and use a different C++ native plotting framework such as matplot++
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Best Library to Visualize Mathematical Concepts
The best way to visualize most mathematical concepts is by plotting a 2D graph. To do that you can use e.g. Matplot++
- Update on C++ DataFrame project
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How to implement Matplotlib in C++
If you just want to plot graphs in C++ check out https://alandefreitas.github.io/matplotplusplus/. There is extensive documentation on how to use it. But if you haven't used a library before you should start here:
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2D Animation for algorithms
Using a 3rd party UI library, you certainly can. E.g. with MatPlot++
- I want to make a program that draws a graphical function to a png and I don't know how.
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C++ plotting library for Windows + MinGW similar to matplotlib in Python?
Maybe Matplot++ is the solution. You can check more info in https://github.com/alandefreitas/matplotplusplus
What are some alternatives?
nwchem - NWChem: Open Source High-Performance Computational Chemistry
matplotlib - C++ wrappers around python's matplotlib
RayTracer - A ray tracing program
matplotlib-cpp - Extremely simple yet powerful header-only C++ plotting library built on the popular matplotlib
psi4 - Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
implot - Immediate Mode Plotting
EventMolecularDynamics - A program implementing event driven molecular dynamics for hard smooth spheres, using OpenGL for displaying
manim - Animation engine for explanatory math videos
EmpiricalPseudopotential - Band structure computation using empirical pseudopotentials
volbx - Graphical tool for data manipulation written in C++/Qt.
cexprtk - cexprtk is a cython wrapper around "C++ Mathematical Expression Toolkit Library (ExprTk)". Using cexprtk a powerful mathematical expression engine can be incorporated into your python project.
bauh - Graphical user interface for managing your Linux applications. Supports AppImage, Debian and Arch packages (including AUR), Flatpak, Snap and native Web applications