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LCPQ/ quack
Fortran 1 0
Updated 2024-12-19 10:03:40 +01:00
PTEROSOR/ QuAcK
Fortran 1 0
QuAcK is a small quantum chemistry package written in Fortran. It is mostly used for easy prototyping.
Updated 2024-12-19 10:03:40 +01:00
LCPQ/ qp2
Fortran 1 0
Quantum Package : a programming environment for wave function methods
irpf90 ocaml post-hf cipsi post-hartr
Updated 2024-12-18 17:01:31 +01:00
PTEROSOR/ QuantumPackage
Fortran 0 0
Open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected CI methods and multi-reference PT2.
Updated 2024-12-18 17:01:31 +01:00
scemama/ qp_plugins_scemama
Fortran 0 0
Plugins for QP2
irpf90 post-hf
Updated 2024-03-05 15:36:55 +01:00
TREX/ fparser
Fortran 0 0
Updated 2022-06-09 09:44:28 +02:00
LCPQ/ qmcchem
Fortran 1 1
Quantum Monte Carlo program
irpf90 qmc
Updated 2022-03-06 15:16:02 +01:00
TREX/ irpjast
Fortran 0 0
Updated 2021-06-04 13:45:58 +02:00
berger/ Madelung
Fortran 0 0
A code for the calculation of Madelung constants
Updated 2021-03-12 22:27:06 +01:00
berger/ Wigner
Fortran 0 0
Codes for the calculation of the ground-state energies (classical energy and harmonic corrections) of Wigner crystals in 1D, 2D, and 3D using Clifford boundary conditions with a renormalized distance.
Updated 2021-03-11 12:28:06 +01:00
LCPQ/ eplf
Fortran 0 0
Computes the Electron Pair Localization Function
Updated 2020-06-03 23:37:35 +02:00
LCPQ/ quantum_package
Fortran 0 0
This repository is version 1 of QP. This version is not supported any more. Version 2 is available here : https://github.com/QuantumPackage/qp2
Updated 2019-06-28 00:16:47 +02:00