/
links.rst
93 lines (88 loc) · 4.32 KB
/
links.rst
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
.. _Autoconf: http://www.gnu.org/software/autoconf
.. _Bats: https://github.com/sstephenson/bats
.. _BLAS: http://www.netlib.org/blas/
.. _Core: https://opensource.janestreet.com/core/
.. _Dice: https://sanshar.github.io/Dice/
.. _EMSL_Basis_Set_Exchange_Local: https://github.com/TApplencourt/EMSL_Basis_Set_Exchange_Local
.. _EZFIO: http://gitlab.com/scemama/EZFIO
.. _external plugins: https://gitlab.com/scemama/qp_plugins
.. _GAMESS: https://www.msg.chem.iastate.edu/gamess/
.. _GNU make: http://www.gnu.org/software/make
.. _GNU Patch: http://savannah.gnu.org/projects/patch
.. _Irene: http://www-hpc.cea.fr/en/complexe/tgcc-Irene.htm
.. _IRPF90: http://irpf90.ups-tlse.fr
.. _LAPACK: http://www.netlib.org/lapack/
.. _NECI: https://github.com/ghb24/NECI_STABLE
.. _Ninja: https://ninja-build.org/
.. _NWChem: http://www.nwchem-sw.org/
.. _OCaml: http://ocaml.org/
.. _OPAM: http://opam.ocaml.org/
.. _Olympe: https://www.calmip.univ-toulouse.fr/spip.php?article582&lang=fr
.. _Python: http://www.python.org
.. _QMC=Chem: https://gitlab.com/scemama/qmcchem
.. _QMCPack: https://qmcpack.org
.. _resultsFile: http://gitlab.com/scemama/resultsFile
.. _SLURM: https://slurm.schedmd.com/
.. _ZeroMQ: http://zeromq.org/
.. _Zlib: http://zlib.net
.. |Bats| replace:: `Bats`_
.. |BLAS| replace:: `BLAS`_
.. |EZFIO| replace:: `EZFIO`_
.. |GAMESS| replace:: `GAMESS`_
.. |IRPF90| replace:: `IRPF90`_
.. |LAPACK| replace:: `LAPACK`_
.. |Ninja| replace:: `Ninja`_
.. |OCaml| replace:: `OCaml`_
.. |OPAM| replace:: `OPAM`_
.. |Python| replace:: `Python`_
.. |qp| replace:: *Quantum Package*
.. |QP| replace:: *Quantum Package*
.. |qpsh| replace:: *Quantum Package Shell*
.. |QPSH| replace:: |qpsh|
.. |resultsFile| replace:: `resultsFile`_
.. |SLURM| replace:: `SLURM`_
.. |ZeroMQ| replace:: `ZeroMQ`_
.. |AO| replace:: :abbr:`AO (Atomic Orbital)`
.. |AOs| replace:: :abbr:`AOs (Atomic Orbitals)`
.. |CAS| replace:: :abbr:`CAS (Complete Active Space)`
.. |CAS-SD| replace:: :abbr:`CAS-SD (Complete Active Space plus all Singles and Doubles)`
.. |CCD| replace:: :abbr:`CCD (Coupled Cluster with Double Excitations)`
.. |CCSD| replace:: :abbr:`CCSD (Coupled Cluster with Single and Double Excitations)`
.. |CID| replace:: :abbr:`CID (Configuration Interaction with Double Excitations)`
.. |CIPSI| replace:: :abbr:`CIPSI (Configuration Interaction using a Perturbative Selection)`
.. |CI| replace:: :abbr:`CI (Configuration Interaction)`
.. |CISD| replace:: :abbr:`CISD (Configuration Interaction with Single and Double Excitations)`
.. |CASSCF| replace:: |CAS| - |SCF|
.. |CIS| replace:: :abbr:`CIS (Configuration Interaction with Single Excitations)`
.. |DDCI| replace:: :abbr:`DDCI (Difference Dedicated Configuration Interaction)`
.. |DFT| replace:: :abbr:`DFT (Density Functional Theory)`
.. |DIIS| replace:: :abbr:`DIIS (Direct Inversion of the Iterative Subspace)`
.. |FCIQMC| replace:: |FCI| - |QMC|
.. |FCI| replace:: :abbr:`FCI (Full Configuration Interaction)`
.. |HF| replace:: :abbr:`HF (Hartree-Fock)`
.. |KS-DFT| replace:: :abbr:`KS-DFT (Kohn-Sham Density Functional Theory)`
.. |MO| replace:: :abbr:`MO (Molecular Orbital)`
.. |MOs| replace:: :abbr:`MOs (Molecular Orbitals)`
.. |MP2| replace:: :abbr:`MP2 (Moller-Plesset second order perturbative correction)`
.. |MPI| replace:: :abbr:`MPI (Message Passing Interface)`
.. |MRCC| replace:: :abbr:`MRCC (Multi-Reference Coupled Cluster)`
.. |MRPT| replace:: :abbr:`MRPT (Multi-Reference Perturbation Theory)`
.. |PT2| replace:: :abbr:`PT2 (Second order perturbative correction)`
.. |QMC| replace:: :abbr:`QMC (Quantum Monte Carlo)`
.. |ROHF| replace:: :abbr:`ROHF (Restricted Open-Shell Hartree-Fock)`
.. |RSDFT| replace:: :abbr:`RSDFT (Range Separated Density Functional Theory)`
.. |RSH| replace:: :abbr:`RSH (Range Separated Hybrids)`
.. |rst| replace:: :abbr:`RST (ReStructured Text)`
.. |SCF| replace:: :abbr:`SCF (Self Consistent Field)`
.. |sCI| replace:: :abbr:`sCI (Selected-CI)`
.. |WFT| replace:: :abbr:`WFT (Wave Function Theory)`
.. |LDA| replace:: :abbr:`LDA (Local Density Approximation)`
.. |PBE| replace:: :abbr:`PBE (Perdew-Burke-Ernzerhof)`
.. |kalpha| replace:: :math:`|\alpha \rangle`
.. |H| replace:: :math:`\hat H`
.. |Psi| replace:: :math:`|\Psi \rangle`
.. |S^2| replace:: :math:`\widehat{S^2}`
.. |true| replace:: ``true``
.. |false| replace:: ``false``
.. |README| replace:: :file:`README.rst`
.. |NEED| replace:: :file:`NEED`