jasp | python enhancements of ase.calculators.vasp | Math library
kandi X-RAY | jasp Summary
kandi X-RAY | jasp Summary
python enhancements of ase.calculators.vasp
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- Inserts a new entry into the database
- Remove files from the repository
- Calculate forces
- Get the pseudopotentials for the input parameters
- Return a pretty print of the results
- Return a function that returns the neb
- Run the job
- Check if a job is in the queue
- Calculate the dilectric tensor
- Return a property
- Calculate elastic moduli
- Calculates the piezoelectric tensor
- Return a dictionary of special setup parameters
- Check the state of the simulation
- Read configuration from a file
- Returns a list of all the directories in the given root directory
- Get the charge density at a given spin
- Returns theborn charges in the BORN file
- Read forces
- Attach charges to the VCF file
- Returns the recommended memory usage of the JASP output
- Convert the calculation to an org
- Check VASP VASP VASP
- Plot the band structure
- Check if an exception is raised
- Plot the energy of the band
jasp Key Features
jasp Examples and Code Snippets
Community Discussions
Trending Discussions on jasp
QUESTION
Alright so I'm trying to build my React-Native app using Android Studio. I first ran into this error when building:
...ANSWER
Answered 2021-Jul-01 at 13:08You are using the wrong sdkmanager
, tools
directory has been deprecated
Open Android Studio
and install the latest command-line
tools:
This will create this folder in your Android SDK:
...\Android\Sdk\cmdline-tools\latest\bin
Now use the sdkmanager
which is inside the bin directory to accept all the licenses:
C:\Users\jaspe\AppData\Local\Android\Sdk\cmdline-tools\latest\bin>sdkmanager.bat --licenses
QUESTION
I am able to plot with simple arrays like range(10) but when I try with data I load from the stock market, my code fails to plot the data.
This is the output of the below code: https://i.stack.imgur.com/tljfv.png
I know this code is fetching the data properly because it prints. Please let me know if you can help or have any pointers.
...ANSWER
Answered 2021-Jun-30 at 01:33In python, we don't usually need 'counter' variables like that, but if that's what you're used to, then you should update it in your loop. Currently you have
QUESTION
I'm trying to make a 12x12 binary-puzzle game in python. There's no GUI in the game, just the shell. To get the values of the tiles, I made an import function which imports values from an excel-document using xlrd. Now I'm making a function to print out the board, but something's not quite right:
(sorry for too big pictures)
Here is my code:
Main:
...ANSWER
Answered 2021-Feb-16 at 07:42You got a copy and paste error in every index space with str(d_[x][8])
As @blorgon pointed out you should refactor your code - with for the example a foreach loop going through the elements of your nested array. A simple list comprehension should do the trick and is easier to code and to understand:
QUESTION
I have connected my NestJS project with a CosmosDB database using the @nestjs/azure-database package. I have successfully created a first item in my database, but whenever I try to add another one (create function), it gives me following error:
...ANSWER
Answered 2020-Oct-23 at 07:44I solved the issue by removing the container in Cosmos DB and then restarting my program, thereby creating a new container with the correct PartitionKey. Updating an existing one apparently does not work.
QUESTION
I have an R package as a back-end engine for a GUI (JASP). I want to be able to have people convert their images to greyscale (for publication printing). For most plots, I can use scale_colour_grey()
, but that doesn't work when colors are specified within stats_summary. For example:
ANSWER
Answered 2020-Aug-14 at 19:07You can actually get at the ggplot object before it is built, reach into the layer that has the coloured object and change it. Here's a full reprex:
Community Discussions, Code Snippets contain sources that include Stack Exchange Network
Vulnerabilities
No vulnerabilities reported
Install jasp
You can use jasp 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.
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