gpaw | Git mirror of https : //svn.fysik.dtu.dk/projects/gpaw/trunk
kandi X-RAY | gpaw Summary
kandi X-RAY | gpaw Summary
gpaw is a Python library. gpaw has no bugs, it has no vulnerabilities, it has build file available and it has low support. However gpaw has a Non-SPDX License. You can download it from GitHub.
Copyright (c) 2004 CAMP.
Copyright (c) 2004 CAMP.
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Support
gpaw has a low active ecosystem.
It has 7 star(s) with 3 fork(s). There are 3 watchers for this library.
It had no major release in the last 6 months.
gpaw has no issues reported. There are no pull requests.
It has a neutral sentiment in the developer community.
The latest version of gpaw is current.
Quality
gpaw has no bugs reported.
Security
gpaw has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.
License
gpaw has a Non-SPDX License.
Non-SPDX licenses can be open source with a non SPDX compliant license, or non open source licenses, and you need to review them closely before use.
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gpaw releases are not available. You will need to build from source code and install.
Build file is available. You can build the component from source.
Installation instructions are available. Examples and code snippets are not available.
Top functions reviewed by kandi - BETA
kandi has reviewed gpaw and discovered the below as its top functions. This is intended to give you an instant insight into gpaw implemented functionality, and help decide if they suit your requirements.
- Write GPAW to file
- Get ion_step positions
- Return the name and template for wave function
- Open a file
- Generate the energy distribution
- Calculates the r - spline basis based on the tail norm
- Find the r cut by energy j
- Smoothly smooth a single point
- Calculate the effective potential energy
- Generate random wave functions
- Set input parameters
- Iterate over a single k - point decomposition
- Prints information about an iteration
- Get the ionic positions
- Calculates the KCD for a given grid point
- Calculate the coulomb
- Returns the basis vectors for a given locator
- Compute the molecular mass at the given modes
- Update the Hamiltonian
- Read paw file
- Write the calculation to a file
- Analyze the model
- R Check convergence of the convergence
- Iterate over a single k - point
- Function to get allelectron eigen - density
- Calculate photoabsorption spectrum from dipole moments
- Reads the parameters from a gpaw file
Get all kandi verified functions for this library.
gpaw Key Features
No Key Features are available at this moment for gpaw.
gpaw Examples and Code Snippets
No Code Snippets are available at this moment for gpaw.
Community Discussions
Trending Discussions on gpaw
QUESTION
How to execute a job-submitting script for all the files with a specific (range of) pattern in linux
Asked 2019-Dec-30 at 08:34
I am doing some calculations on CentOS 7.7 on a supercomputing server. Let's say I have a folder "tmp_folder" containing the following files:
...ANSWER
Answered 2019-Dec-30 at 08:34Below's some simple bash, using a sequence from 78 to 151 in for loop
Community Discussions, Code Snippets contain sources that include Stack Exchange Network
Vulnerabilities
No vulnerabilities reported
Install gpaw
For installation instructions, please see:.
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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