horton | HORTON: Helpful Open-source Research TOol for N-fermion systems

 by   theochem Python Version: 2.3.0 License: GPL-3.0

kandi X-RAY | horton Summary

kandi X-RAY | horton Summary

horton is a Python library. horton has no bugs, it has no vulnerabilities, it has build file available, it has a Strong Copyleft License and it has low support. You can download it from GitHub.

HORTON 3 is the modular rewrite of HORTON. It is split into several repositories and will not be hosted here. The table below contains information on the progress of various modules. | module name | location | code | package | doc | |--------------------|----------------------------------------|------|----------|------------| | gbasis | | x | x | | | iodata | | x | x | x | | grids + cell (old) | | x | x | | | grids (new) | | | | | | cell (new) | | x | x | | | meanfield | | x | x | | | porcelain | | RFC! | | |.
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            kandi-support Support

              horton has a low active ecosystem.
              It has 78 star(s) with 37 fork(s). There are 20 watchers for this library.
              OutlinedDot
              It had no major release in the last 12 months.
              There are 33 open issues and 106 have been closed. On average issues are closed in 142 days. There are 4 open pull requests and 0 closed requests.
              It has a neutral sentiment in the developer community.
              The latest version of horton is 2.3.0

            kandi-Quality Quality

              horton has 0 bugs and 0 code smells.

            kandi-Security Security

              horton has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.
              horton code analysis shows 0 unresolved vulnerabilities.
              There are 0 security hotspots that need review.

            kandi-License License

              horton is licensed under the GPL-3.0 License. This license is Strong Copyleft.
              Strong Copyleft licenses enforce sharing, and you can use them when creating open source projects.

            kandi-Reuse Reuse

              horton releases are available to install and integrate.
              Build file is available. You can build the component from source.

            Top functions reviewed by kandi - BETA

            kandi has reviewed horton and discovered the below as its top functions. This is intended to give you an instant insight into horton implemented functionality, and help decide if they suit your requirements.
            • Compute the symmetry matrix for a given partition
            • Compute bond orders and populations
            • Compute the bond orders
            • Return the grid of the grid
            • Load data from files
            • Calculate the tanb and nel
            • Fill the orbitals
            • Load a CP2K ATOM file
            • Run tests
            • Checks for commits up to the given ancestor
            • Removes whitespace from a string
            • Read a checkpoint file
            • Collapse strings
            • Compute the dot product
            • Generate lib configuration
            • Setup weights for an ESP fitting
            • Builds orbitals from fock and dm
            • Run pylint
            • Write a single part output
            • Parse arguments
            • R Split a set of active orbitals
            • Return the stats for all modules
            • Convert atomic calculations
            • Parse command line arguments
            • Process a file
            • Write cartesian transformation code to file f
            Get all kandi verified functions for this library.

            horton Key Features

            No Key Features are available at this moment for horton.

            horton Examples and Code Snippets

            No Code Snippets are available at this moment for horton.

            Community Discussions

            QUESTION

            Android Retrofit2 parsing boolean value always false
            Asked 2021-Dec-13 at 09:26

            I checked the HTTP Response value of my server, the value of restaurant_isfav is t(rue)

            ...

            ANSWER

            Answered 2021-Dec-12 at 09:47

            It's always false because your data "restaurant_isfav": "t", return t not true and return it as string not boolean, your code will works if the data is like "restaurant_isfav": true,

            To solve this problem you can convert restaurant_isfav type from boolean to string and then check if it t or f,

            The other solution is an enum that mapping t to TRUE and f to FALSE

            Source https://stackoverflow.com/questions/70319914

            QUESTION

            Why different char array size for identical strings in C?
            Asked 2021-Dec-05 at 16:44

            In C the string is always terminated with a \0 character, so the length of the string is the number of characters + 1. So, in case you need to initialise a string of 12 characters, you must "allow one element for the termination character" (from p.221, "Beginning C", Horton).

            All right, let's try

            ...

            ANSWER

            Answered 2021-Dec-05 at 16:44

            When you define an array with a fixed size and initialize it with a string literal:

            • If the size is smaller than the number of characters in the string (not counting the terminating null character), the compiler will complain about the mismatch.
            • If the size equals the number of characters in the string (not counting the terminating null character), the compiler will initialize the array with the characters in the string and no terminating null character. This is used to initialize an array that will be used only as an array of characters, not as a string. (A string is a sequence of characters terminated by a null character.)
            • If the size is greater than the number of characters in the string, the compiler will initialize the array with the characters in the string and a terminating null character. Any elements in the array beyond that will also be initialized to zero.

            When you define an array without a stated size and initialize it with a string literal:

            • The compiler counts the characters in the string literal, including the terminating null character, and makes that the array size.

            These are the rules of the C standard.

            Source https://stackoverflow.com/questions/70236317

            QUESTION

            Trying to write a Program to calculate the Circumference & area of a circle in C
            Asked 2021-Nov-11 at 22:03

            So I tried to write a program to tell me the circumference and area of a circle when I input the radius but it don't want to work ( I am following instructions from a book (Beginning C by Ivor Horton's)) so here is the program ;

            ...

            ANSWER

            Answered 2021-Nov-11 at 21:54

            QUESTION

            SQL Server JSON retrieval based on specific selection criteria
            Asked 2021-Nov-11 at 20:12

            Using SQL Server JSON functionality how is it possible to extract just the postcode from the following google maps JSON output?

            Please Note: Unfortunately the address_components are not always returned in the same order so looking for

            ...

            ANSWER

            Answered 2021-Nov-11 at 20:12

            You need to use OPENJSON twice, once to unroll results, again to unroll address_components.

            Source https://stackoverflow.com/questions/69933687

            QUESTION

            Update value with put - ExpressJS, nodeJS
            Asked 2021-Sep-06 at 14:15

            I'm new to ExpressJS, and NodeJS. I've been trying to Google, and have went through a few different StackOverflow posts, but cannot seem to find an answer to this.

            I followed a YouTube video, and created an array called users. I created get and put methods for this, which I can call upon, and then use res.send('message'), which works. But whenever I try to update "name" belonging to a specific user, I constantly get the values "undefined". I've tried:

            ...

            ANSWER

            Answered 2021-Sep-06 at 14:15

            When you add data in the Params section in Postman, that is available in the req.query object on the server. So, change your code to use req.query instead of req.body.

            Source https://stackoverflow.com/questions/69073695

            QUESTION

            Padding gives different paddings to top and bottom
            Asked 2021-Jul-23 at 15:21

            ...

            ANSWER

            Answered 2021-Jul-23 at 15:21

            Your HTML tags were messed up please be sure to check your code with a HTML Validator like https://validator.w3.org/ .

            I fixed up your HTML, and it appears to be working how you intend it to:

            Source https://stackoverflow.com/questions/68501353

            QUESTION

            How do I import C++ 20 module?
            Asked 2021-May-23 at 00:59

            I am using Visual Studio 2019 (Community edition) running on a Windows 10 machine. I have created a simple console application and I want to import the format module so that I can use something like std::format(). I get an error that 'cannot find header 'format' to import. My code is based on a book by Horton and van Weet titled 'Beginning C++ 20' which starts with two lines namely: import iostream (this is contained in angled brackets) followed by a line which says import format also contained within angled brackets. Maybe let me rephrase my question. The code generated by Visual Studio says #include iostream but does not allow me to #include format. So, when do I use #include and when do I use import?

            ...

            ANSWER

            Answered 2021-May-23 at 00:59

            While waiting for MSVS support of std::format, you can use the fmt library that is the basis for the std::format. This can be found at https://github.com/fmtlib/fmt. It is compatible with the C++20 standard but does include additional features. Add the library to your source and use fmt::format instead of std::format. It'll be easy to convert this to std::format once fully supported.

            Source https://stackoverflow.com/questions/67654474

            QUESTION

            Why does for loop behavior change when debug statement Serial.println(i); is present vs. commented out
            Asked 2021-Apr-20 at 18:32

            I have written a base 64 encoding / decoding library for the Arduino IDE (yes, I am aware such libraries already exist. This is for my own education as much as anything practical). My target microcontroller is an Espressif ESP32.

            In my base64 decoding function, the index variable i is affected by the presence of a Serial.println() debug statement. It is the strangest thing I have ever seen and I cannot figure out why it should make a difference if there is debug printing or not.

            Using the test program base64.ino and the b64.cpp functions below, here are two samples of my serial output. In the first example, I'm using a Serial.println(i); in the function b64dec() just after the for loop. In the second example, the Serial.println(i); is commented out. That is the only difference and I get two drastically different results.

            Am I missing something here? Is it a compiler optimization gone wonky? My understanding of C variable scoping is that there are only global, function, and parameter levels. The i in the for loop should be the same as the int i = 0; a few lines above it. I don't believe it's buffer eoverflow either, since the debugging output of 13 for the decoded length is accurate for a 12 character message and its NULL terminator.

            This is what I expect to get any time I run it:

            ...

            ANSWER

            Answered 2021-Apr-20 at 08:36

            You have declared an array of 4 chars:

            Source https://stackoverflow.com/questions/67172273

            QUESTION

            Pandas calculating over duplicated entries
            Asked 2021-Mar-18 at 20:59

            This is my sample dataframe

            ...

            ANSWER

            Answered 2021-Mar-15 at 14:23

            This script creates columns containing the individual holding times, the average holding time for that property, and the price changes during the holding times:

            Source https://stackoverflow.com/questions/66638461

            QUESTION

            Javascript arrays email substring into full name, firstname and lastname
            Asked 2021-Feb-19 at 13:24
                  I know my questions are similar to other questions but I could not figure it. 
            
            ...

            ANSWER

            Answered 2021-Feb-19 at 05:44

            For fullname, you cane use replace(".", "") to remove the '.' So for fullname it can be: i.substring(0, i.lastIndexOf("@")).replace(".", "")

            https://developer.mozilla.org/en-US/docs/Web/JavaScript/Reference/Global_Objects/String/replace

            Source https://stackoverflow.com/questions/66272298

            Community Discussions, Code Snippets contain sources that include Stack Exchange Network

            Vulnerabilities

            No vulnerabilities reported

            Install horton

            You can download it from GitHub.
            You can use horton like any standard Python library. You will need to make sure that you have a development environment consisting of a Python distribution including header files, a compiler, pip, and git installed. Make sure that your pip, setuptools, and wheel are up to date. When using pip it is generally recommended to install packages in a virtual environment to avoid changes to the system.

            Support

            For any new features, suggestions and bugs create an issue on GitHub. If you have any questions check and ask questions on community page Stack Overflow .
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