Search Results for "siesta"
Sort By:
Showing 9 open source projects for "siesta"
View related business solutions-
MongoDB Atlas runs apps anywhereMongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.
-
Build Data Resilience - Take the Assessment TodayIs your recovery strategy as strong as you think? Take this quick self-assessment to check your recovery readiness and gain tailored insights. In only 2 minutes, you'll learn where you fall on the recovery readiness scale.
-
1
DeepH-pack
Deep neural networks for density functional theory Hamiltonian
DeepH-pack is the official implementation of the DeepH (Deep Hamiltonian) method described in the paper Deep-learning density functional theory Hamiltonian for efficient ab initio electronic-structure calculation and in the Research Briefing. DeepH-pack supports DFT results made by ABACUS, OpenMX, FHI-aims or SIESTA and will support HONPAS. -
2
dft_installer.sh
Automated Installer for VASP, SIESTA, their libraries and utilities
Automated Installer for VASP, SIESTA, and their libraries and utilities for serial and parallel modes in a Linux environment. (dft_installer.sh) Gustavo Domínguez Rodríguez, Gabriel Iván Canto Santana, Jorge Alejandro Tapia Gonzalez, Cesar Alberto Cab Cauich High-performance scientific software is commonly compiled on the computing system, for optimizing it according to its specific characteristics. -
3
Siesta
The civilized way to write REST API clients for iOS / macOS
Drastically simplifies app code by providing a client-side cache of observable models for RESTful resources. The elegant way to write iOS / macOS REST clients. You need to display response data whenever it arrives. Unless the requesting screen is no longer visible. Unless some other currently visible bit of UI happens to need the same data. Or is about to need it. You should show a loading indicator (but watch out for race conditions that leave it stuck spinning forever), display... -
4
CIF2Cell
Generating cells for electronic structure calculations from CIF files
...The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published in Computer Physics Communications 182 (2011) 1183–1186. Please cite generously. -
One Monitoring Tool for IT, OT and Cloud | Free TrialModern infrastructure spans data centers, cloud platforms and factory floors, and every blind spot between them is a risk. PRTG supports SNMP, WMI, SSH and other standard protocols to monitor IT, OT and hybrid environments through one customizable dashboard. Build the views your team needs, from network health to application performance, without switching tools. Try PRTG free for 30 days now.
-
5
Inelastica
Transport code and tools based on SIESTA and TranSIESTA (DFT-NEGF)
NOTE: The Inelastica project moved to https://github.com/tfrederiksen/inelastica/ in February 2018. Pre- and post-processing tools for SIESTA (DFT, quantum chemistry) and TranSIESTA (quantum transport): (1) Calculate phonon frequencies, e-ph couplings, and inelastic contributions to the conductance (IETS). (2) Access Hamiltonian etc from Python. Some code documentation and installation instructions are available at this mediawiki page: http://dipc.ehu.es/frederiksen/inelastica/index.php. -
6
MUSE
A Multi-algorithm Collaborative Structure-prediction Environment
MUSE is short for Multi-algorithm-collaborative Universal Structure-prediction Environment, which was developed for easy use in structure prediction of materials under ambient or extreme conditions, such as high pressure. It was written in Python and organically combined the multi algorithms including the evolutionary algorithm, the simulated annealing algorithm and the basin hopping algorithm to collaboratively search the global energy minimum of materials with the fixed stoichiometry.... -
7
ANT.1D
Quantum transport for tight-binding and ab initio Hamiltonians
ANT.1D is a stand-alone quantum transport code for essentially one-dimensional setups described by tight-binding or ab initio Kohn-Sham Hamiltonians obtained from other codes working with atomic basis sets (Gaussian, Crystal,SIESTA). Interfaces with Crystal and Gaussian codes are available. Electrodes are described either by nanowires of finite thickness or Bethe lattice electrodes. -
8
siesta
1
2 -
9
The Siesta project team has witnessed many discussions by people suggesting that if Mailman was written in Perl they would hack on it. However nothing has happened so far and so they're writing in it in a few lazy afternoons, hence Siesta.
-
Build Securely on Azure with Proven FrameworksMoving to the cloud brings new challenges. How can you manage a larger attack surface while ensuring great network performance? Turn to Fortinet’s Tested Reference Architectures, blueprints for designing and securing cloud environments built by cybersecurity experts. Learn more and explore use cases in this white paper.
- Previous
- You're on page 1
- Next
