Skip to content
#

ase

Star

Here are 63 public repositories matching this topic...

Language: All
Filter by language
All 63 Python 21 Jupyter Notebook 7 JavaScript 6 HTML 3 Fortran 2 Go 2 Java 2 Assembly 1 Awk 1 C 1
Sort: Best match
Sort options
Best match Most stars Fewest stars Most forks Fewest forks Recently updated Least recently updated

DataAction / AdoNetCore.AseClient

Star 85
Open

CommandBehavior.SchemaOnly doesn't work with stored procedures (at least)

MaceWindu
MaceWindu commented Aug 10, 2020

Describe the bug
Calling procedure with CommandBehavior.SchemaOnly behavior wraps sql with SET FMTONLY ON and SET FMTONLY OFF lines which results in following errors:

// for fully-qualified name (db.schema.proc)
Attempt to locate entry in sysdatabases for database 'SET FMTONLY ON
TestDataCore' by name failed - no entry found under that name. Make sure that name is entered proper
Read more
🪲 bug help wanted good first issue

elcorto / pwtools

Star 38

pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.

python sqlite molecular-dynamics lammps preprocessing quantum-espresso polynomial-regression cp2k multivariate-regression radial-basis-function kernel-regression postprocessing radial-distribution-function ase parameter-sweep kernel-ridge-regression quasi-harmonic-approximation cpmd
  • Updated May 6, 2022
  • Python

Tryken / SimpleServerClient

Star 4

Welcome to our simplification of server/client sockets. I think that as a programmer you shouldn't waste time on such things as taking care of a server client system because it can be much easier. Our system supports by default an event system, AES 256bit encryption, chat functions, server password protection, maximum connection number and much more.

api chat client events json encryption networking server commands rsa easy-to-use clientserver password-protection ase
  • Updated May 21, 2018
  • Java

GardenGroupUO / Organisms

Star 4

The Otago Research Genetic Algorithm for Nanoclusters, Including Structural Methods and Similarity (Organisms) program is a genetic algorithm designed to globally optimise nanoclusters (also known as clusters or nanoparticles)

genetic-algorithm clusters nanoparticles ase university-of-otago asap3 atomic-simulation-environment nanoclusters jupyter-binder predation-operator fitness-operator otago-university common-neighbour-analysis common-neighbor-analysis
  • Updated May 25, 2022
  • Python

Improve this page

Add a description, image, and links to the ase topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the ase topic, visit your repo's landing page and select "manage topics."

Learn more