sella | Python software package for saddle point optimization | Dataset library

by zadorlab Python Version: v2.2.0 License: Non-SPDX

X-Ray Key Features Code Snippets Community Discussions(3)Vulnerabilities Install Support

kandi X-RAY | sella Summary

sella is a Python library typically used in Artificial Intelligence, Dataset applications. sella has no bugs, it has no vulnerabilities, it has build file available and it has low support. However sella has a Non-SPDX License. You can download it from GitHub.

Sella is a utility for finding first order saddle points.

Support

Quality

Security

License

Reuse

Support

sella has a low active ecosystem.

It has 27 star(s) with 8 fork(s). There are 9 watchers for this library.

It had no major release in the last 12 months.

There are 5 open issues and 6 have been closed. There are 1 open pull requests and 0 closed requests.

It has a neutral sentiment in the developer community.

The latest version of sella is v2.2.0

Quality

sella has no bugs reported.

Security

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

License

sella 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.

Reuse

sella releases are available to install and integrate.

Build file is available. You can build the component from source.

Installation instructions are not available. Examples and code snippets are available.

Top functions reviewed by kandi - BETA

kandi has reviewed sella and discovered the below as its top functions. This is intended to give you an instant insight into sella implemented functionality, and help decide if they suit your requirements.

Calculate the internals and dummies
Finds all bond atoms
Add dummy rotations to the internals
Calculate the velocity of the cell
Merges an Ase
Fix a translation index
Calculate the value of the cell
Perform an eigensolver step
Check for invalid atoms
Fix internal indices
Set the position of the optimizer
Perform a single step
Add an internal index
Guess the Hessian of the molecule
Split the vector into two dimensions
Replace internal indices
Do q - O decomposition
Write the step to the log file
Returns a scons
Calculates the Hamiltonian
Kick effects from dx
Calculate the probability density function
Split the ellipse
Calculate the gradient of the optimizer
Computes the rotation of a rotation matrix
Returns projected forces
Establish a TrustRegion

Get all kandi verified functions for this library.

sella Key Features

No Key Features are available at this moment for sella.

sella Examples and Code Snippets

No Code Snippets are available at this moment for sella.

Community Discussions

Trending Discussions on sella

Custom element type in XSD

Calculate a value from drop down list that uses sqldatasource as data source

Java Client and Server connected but not communicating

QUESTION

Custom element type in XSD

Asked 2018-Mar-28 at 05:35

For SOAP webservice i have a response bean as

...

ANSWER

Answered 2018-Mar-28 at 05:35

i was able to set the custom element type name using

Source https://stackoverflow.com/questions/49492488

QUESTION

Calculate a value from drop down list that uses sqldatasource as data source

Asked 2017-May-14 at 19:47

So basically i want to do calculation based on selected index in Dropdown list that uses sqldatasource as it sources and having trouble to view it on another page.I'm using session in the process.

Here's the coding for the Dropdown list's that is using sqldatasource :-

...

ANSWER

Answered 2017-May-14 at 19:47

this should work

Source https://stackoverflow.com/questions/43966504

QUESTION

Java Client and Server connected but not communicating

Asked 2017-Feb-19 at 19:18

so I'm trying to create a Client - Server chat application and I've got the program already written. The client and server connect through a common port(5000) on localhost. The server and client connect (the console confirms this with a system.out) however when I prompt the server to send a println out to the client to prompt the user to enter a username nothing happens. Please help.

Client:

...

ANSWER

Answered 2017-Feb-19 at 19:18

You have multiple errors here.

The most important one is about the logic: on the server side, you first listen to an incoming message from the client:

Source https://stackoverflow.com/questions/42331322

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

Vulnerabilities

No vulnerabilities reported

Install sella

You can download it from GitHub.
You can use sella 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.