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fix spaces in desc
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Antimo Marrazzo committed Feb 14, 2024
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14 changes: 7 additions & 7 deletions codes.yaml
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Expand Up @@ -352,7 +352,7 @@ sisl:
- tb
metadata:
description: |
sisl is an open-source easy-to-use density functional theory APIframework to post-analyse density functional theory codes output as wellas providing tight-binding calculation capabilities. It couples to a widerange of density functional theory codes and has a high connection withLCAO codes such as Siesta. The tight-binding matrices can be used innon-equilibrium Green function calculations with TBtrans as a backend.
sisl is an open-source easy-to-use density functional theory APIframework to post-analyse density functional theory codes output as wellas providing tight-binding calculation capabilities. It couples to a widerange of density functional theory codes and has a high connection withLCAO codes such as Siesta. The tight-binding matrices can be used innon-equilibrium Green function calculations with TBtrans as a backend.
title: sisl
homepage_url: https://github.com/zerothi/sisl
documentation_url: https://zerothi.github.io/sisl/index.html
Expand All @@ -364,7 +364,7 @@ nanotcad:
- transport
metadata:
description: |
NanoTCAD ViDES is able to simulate nanoscale devices, through the self-consistent solution of the Poisson and the Schroedinger equations, by means of the Non-Equilibrium Green’s Function (NEGF) formalism.
NanoTCAD ViDES is able to simulate nanoscale devices, through the self-consistent solution of the Poisson and the Schroedinger equations, by means of the Non-Equilibrium Green’s Function (NEGF) formalism.
title: NanoTCAD ViDES
homepage_url: http://vides.nanotcad.com/vides/
documentation_url: http://vides.nanotcad.com/vides/documentation
Expand All @@ -376,7 +376,7 @@ pyw90:
- io-auto
metadata:
description: |
pyWannier90 uses the library-mode of wannier90 to perform the wannierization on the wave function obtained by PySCF or VASP.
pyWannier90 uses the library-mode of wannier90 to perform the wannierization on the wave function obtained by PySCF or VASP.
title: pyWannier90
homepage_url: https://github.com/hungpham2017/pyWannier90
sourcecode_url: https://github.com/hungpham2017/pyWannier90
Expand All @@ -387,7 +387,7 @@ w90iopy:
- io-auto
metadata:
description: |
A Python library for reading and writing Wannier90 files.
A Python library for reading and writing Wannier90 files.
title: wannier90io-python
homepage_url: https://github.com/wannier-developers/wannier90io-python
sourcecode_url: https://github.com/wannier-developers/wannier90io-python
Expand All @@ -398,7 +398,7 @@ wien2wannier:
- io-auto
metadata:
description: |
WIEN2WANNIER is an interface program between Wien2k and Wannier90 to obtain maximally localized Wannier functions from Wien2k calculations.
WIEN2WANNIER is an interface program between Wien2k and Wannier90 to obtain maximally localized Wannier functions from Wien2k calculations.
title: WIEN2WANNIER
homepage_url: https://wien2wannier.github.io
sourcecode_url: https://github.com/wien2wannier/wien2wannier
Expand All @@ -409,7 +409,7 @@ bigdft:
- ab-initio_engines
metadata:
description: |
BigDFT is a free software package for physicists and chemists, the main program allows the total energy, charge density, and electronic structure of systems made of electrons and nuclei (molecules and periodic/crystalline solids) to be calculated within density functional theory (DFT), using pseudopotentials, and a wavelet basis.
BigDFT is a free software package for physicists and chemists, the main program allows the total energy, charge density, and electronic structure of systems made of electrons and nuclei (molecules and periodic/crystalline solids) to be calculated within density functional theory (DFT), using pseudopotentials, and a wavelet basis.
title: BigDFT
homepage_url: https://l_sim.gitlab.io/bigdft-doc/index.html
documentation_url: https://l_sim.gitlab.io/bigdft-suite/index.html
Expand All @@ -421,7 +421,7 @@ octopus:
- ab-initio_engines
metadata:
description: |
Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation.
Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation.
title: BigDFT
homepage_url: https://octopus-code.org/documentation/13/
documentation_url: https://octopus-code.org/documentation/13/manual/
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