QUICK | QUICK : A GPU-enabled ab intio quantum chemistry software | GPU library

 by   merzlab C Version: QUICK-22.03 License: MPL-2.0

kandi X-RAY | QUICK Summary

kandi X-RAY | QUICK Summary

QUICK is a C library typically used in Hardware, GPU applications. QUICK has no bugs, it has no vulnerabilities, it has a Weak Copyleft License and it has low support. You can download it from GitHub.

An open source, GPU enabled, ab initio and density functional theory program developed by Götz lab at University of California San Diego and Merz lab at Michigan State University.
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              QUICK has a low active ecosystem.
              It has 76 star(s) with 32 fork(s). There are 6 watchers for this library.
              OutlinedDot
              It had no major release in the last 12 months.
              There are 21 open issues and 86 have been closed. On average issues are closed in 108 days. There are 9 open pull requests and 0 closed requests.
              It has a neutral sentiment in the developer community.
              The latest version of QUICK is QUICK-22.03

            kandi-Quality Quality

              QUICK has no bugs reported.

            kandi-Security Security

              QUICK has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

            kandi-License License

              QUICK is licensed under the MPL-2.0 License. This license is Weak Copyleft.
              Weak Copyleft licenses have some restrictions, but you can use them in commercial projects.

            kandi-Reuse Reuse

              QUICK releases are available to install and integrate.
              Installation instructions are available. Examples and code snippets are not available.

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            QUICK Key Features

            No Key Features are available at this moment for QUICK.

            QUICK Examples and Code Snippets

            No Code Snippets are available at this moment for QUICK.

            Community Discussions

            QUESTION

            How to make background images load faster
            Asked 2021-Jun-15 at 22:23

            Most of my WordPress websites have a background image in the top fold. These images are the Largest Contentful Paint Element on the page and usually they get loaded last. Somewhere I read that 'Background images are last in line to be grabbed when a page is loaded'. Is it true?
            Is it a good idea to use a place holder or image in the place of the background image and then change it later so that the LCP gets loaded quickly like below.

            ...

            ANSWER

            Answered 2021-May-14 at 01:42

            You don't want to use a placeholder image to prioritize your background images in situations like this, you want to use . That will tell the browser to start downloading the image as soon as possible.

            Try adding the following code to the of your page, and then use your background image as normal. It should load much faster:

            Source https://stackoverflow.com/questions/67518245

            QUESTION

            Show recipes based on selected ingredients - Google Sheets
            Asked 2021-Jun-15 at 20:07

            I've been trying to build a small database with Google Sheets for me, my wife, my friend and his partner, to make it quick and easy to search through our recipes from HelloFresh!

            I've input all of the recipes, and I am able to query to show recipes we would like based on which meat/vegetable, and what main ingredient (pasta, rice etc).

            The next thing I would like to do is have a list generate/filter based on what ingredients we have, in this case cells J6:J13. I would like the list to generate if any criteria is met. For example, if both Chicken Thigh and Beef Mince are selected, it will show all recipes that have chicken OR beef.

            Would anyone be able to assist, please?

            https://docs.google.com/spreadsheets/d/19Nrr5NurZ5SkLYYPg09dl_XJMe2gx7Ft2TFO4yNklKY/edit?usp=sharing

            ...

            ANSWER

            Answered 2021-Jun-15 at 20:07

            QUESTION

            Rust futures / async - await strange behavior
            Asked 2021-Jun-15 at 20:06

            I am new to rust and I was reading up on using futures and async / await in rust, and built a simple tcp server using it. I then decided to write a quick benchmark, by sending requests to the server at a constant rate, but I am having some strange issues.

            The below code should send a request every 0.001 seconds, and it does, except the program reports strange run times. This is the output:

            ...

            ANSWER

            Answered 2021-Jun-15 at 20:06

            You are not measuring the elapsed time correctly:

            1. total_send_time measures the duration of the spawn() call, but as the actual task is executed asynchronously, start_in.elapsed() does not give you any information about how much time the task actually takes.

            2. The ran in time, as measured by start.elapsed() is also not useful at all. As you are using blocking sleep operation, you are just measuring how much time your app has spent in the std::thread::sleep()

            3. Last but not least, your time_to_sleep calculation is completely incorrect, because of the issue mentioned in point 1.

            Source https://stackoverflow.com/questions/67990757

            QUESTION

            Regex to pick up text between markers and includes last mark
            Asked 2021-Jun-15 at 19:09

            looking for a quick solution to pick up the text following a numeric value that looks like this:

            text to extract

            ...

            ANSWER

            Answered 2021-Jun-04 at 07:28

            We can use re.findall here as follows:

            Source https://stackoverflow.com/questions/67832965

            QUESTION

            Comparing contents of lists ignoring order
            Asked 2021-Jun-15 at 16:01

            assuming I have a class shown below:

            ...

            ANSWER

            Answered 2021-Jun-15 at 16:01

            You need to implement the __eq__ and __lt__ methods to allow you to sort the objects and then compare them:

            Source https://stackoverflow.com/questions/67987270

            QUESTION

            Dealing with slow Electron startup
            Asked 2021-Jun-15 at 08:10
            Context

            I have spent some hours playing with Electron and I have observed that it consistently takes more than 2.5 seconds to draw a trivial html file to the screen. The timeline is roughly as follows:

            • 60 ms: app ready event is triggered; we create a window using new BrowserWindow()
            • 170 ms: a blank window appears on the screen
            • 2800 ms: the window shows the specified HTML

            I have set up a repository with my code, which is derived from Electron's quick start docs.

            Regarding my machine, I am running Windows 10 on a ThinkPad T460 from 2016 with a SSD and enough memory.

            Questions

            Shipping an application that shows a blank window for so long upon startup is a no-go for me. I assume most people developing Electron apps think similarly. Hence my first question: am I doing something wrong? Or is this the expected loading time for a trivial Electron app?

            Assuming this is normal behavior, what is the common way to deal with this problem? Some ideas come to mind:

            1. Asking Electron to show a splash screen: unless there is specific built-in functionality for this, it seems like a no-go, since the splash screen itself would be shown only after 2.5 seconds.
            2. Hide the app's window until it is rendered (using the ready-to-show event), so no blank window is shown. This isn't ideal, since it means that the user doesn't get any feedback whatsoever that the application is actually loading.
            3. Create a wrapper application (using native code) that displays a splash screen, launches electron and hides itself once the electron window is shown. Kind of defeats the purpose of using Electron in the first place, because you end up writing native code and adding accidental complexity.
            4. Setting the background color of the window to something resembling your app, as suggested by the docs. This just doesn't look very well.

            Given this must be a common problem, I hope standard solutions have been found by the community. I'd be glad if someone can point me in the right direction.

            ...

            ANSWER

            Answered 2021-Jun-14 at 02:38

            What if you hid your window until it's ready to show, then show your window, and while your window's hidden show a loading spinner.

            First only show your main window until after it's ready:

            Source https://stackoverflow.com/questions/67874431

            QUESTION

            Most efficient way to replace thousands of strings in a giant file
            Asked 2021-Jun-15 at 07:38

            I have about a half million records that look somewhat like this:

            ...

            ANSWER

            Answered 2021-Jun-15 at 00:50

            For me, this is a natural fit for awk:

            Source https://stackoverflow.com/questions/67978411

            QUESTION

            How to Query if A URL is Indexed by Google?
            Asked 2021-Jun-15 at 06:28

            I want to create a Google script to check if a given URL is indexed by Google, so I write the following function:

            ...

            ANSWER

            Answered 2021-Jun-15 at 06:28
            Answer:

            Unfortunately doing this directly by attempting to web scrape the search results using UrlFetchApp will not work. You can use third party tools to get the number of search results, however.

            More Information:

            I tested this out using an exponential backoff method which sometimes is able to get past 429 errors when a fetch request is invoked by UrlFetchApp.

            When using UrlFetchApp to either web scrape or to connect to an API, it can happen that the server denies the request on the grounds of too many requests - or HTTP Error 429.

            Google Apps Script runs in the cloud, from a set of IP addresses in a pool that Google own. You can actually see all the IP ranges here. Most websites (especially large companies such as Google) have architecture in place to prevent the use of bots scraping their websites and slowing down traffic.

            Sometimes it's possible to get past this error, using a mixture of exponential backoff and random time intervals as shown for the Binance API (Full Disclosure: this GitHub repository was written by me.)

            I assume that either Google directly blocks the Apps Script IP pool, or there are simply too many people trying the same thing - because with the same techniques I was unable to get any response that didn't involve entering a captcha as we discussed in the comments above and can be seen in the log of the page string.

            What can be done:

            There are many third party APIs that you can use to do this, and I suggest searching for one that meets your needs.

            I tested out one called Authoritas which returns search engine indexing for different keywords. The API is asynchornous, so can take up to a minute to get a response, so a Web App solution needs to be made.

            The flow I used is as follows:

            Source https://stackoverflow.com/questions/67812646

            QUESTION

            how to detect non-ascii characters in C++ Windows?
            Asked 2021-Jun-14 at 18:49

            I'm simply trying detect non-ascii characters in my C++ program on Windows. Using something like isascii() or :

            ...

            ANSWER

            Answered 2021-Jun-10 at 19:40

            Try replacing getchar() with getwchar(); I think you're right that its a Windows-only problem.

            I think the problem is that getchar(); is expecting input as a char type, which is 8 bits and only supports ASCII. getwchar(); supports the wchar_t type which allows for other text encodings. "😁" isn't ASCII, and from this page: https://docs.microsoft.com/en-us/windows/win32/learnwin32/working-with-strings , it seems like Windows encodes extended characters like this in UTF-16. I was having trouble finding a lookup table for utf-16 emoji, but I'm guessing that one of the bytes in the utf-16 "😁" is 0x39 which is why you're seeing that printed out.

            Source https://stackoverflow.com/questions/67927315

            QUESTION

            Equivalent of if let and guard let of Swift in Dart
            Asked 2021-Jun-14 at 17:04

            Just started Flutter with native iOS background, so I just have a quick question about Dart beta null safety.

            So in Swift, because they have the idea of null safety from the beginning just like Kotlin, there are 2 features that I really like about the language is if let and guard let. These 2 make working with optional values so much easier. I'm not sure if the beta version of Dart has anything like that.

            Thanks

            ...

            ANSWER

            Answered 2021-Jun-14 at 17:04

            To check null safety in Dart:

            Source https://stackoverflow.com/questions/65937353

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

            Vulnerabilities

            No vulnerabilities reported

            Install QUICK

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