dataesr/scientific-paragraphs-categorization huggingface dataset:
SARAH can be used for SUSY and non-SUSY models to write model files for CalcHep/CompHep  [234, 235] , FeynArts/FormCalc  [282, 283] , WHIZARD/O'Mega  [284, 285] , as well as in the UFO format  [286]  which can be handled for instance by MadGraph 5  [236] , GoSam  [287] , Herwig++  [288] [289] [290] , and Sherpa  [247, 291, 292]. The modules created by SARAH for SPheno calculate the full one-loop and partially two-loop corrected mass spectrum, branching ratios and decay widths of all states, and many flavour and precision observables thanks to the FlavorKit  [293]  functionality. Moreover, an easy link to HiggsBounds  [239, 240]  and HiggsSignals  [241]  exists. One can as well use another tailor-made spectrum generator, FlexibleSUSY  [224] , which can handle both SUSY and non-SUSY models generated with SARAH.
Gauge sector Gauge groups SARAH is not restricted to the SM gauge sector, but many more gauge groups can be defined. To improve the power in dealing with gauge groups, SARAH has linked routines from the Mathematica package Susyno  [294]. SARAH, together with Susyno, takes care of all group-theoretical calculations: it calculates the Dynkin and Casimir invariants, derives the needed representation matrices as well as the generalised Clebsch-Gordan coefficients. For all Abelian groups one can also give a GUT normalisation; these factors usually arise from considerations about embedding a model in a larger symmetry group such as SU  (5)  or SO  (10). Gauge kinetic mixing With more than one Abelian gauge group, terms of the form L = - 1 4 κF A µν F B,µν , A = B , (3. 1) are allowed, where F µν are the field strength tensors of two different Abelian groups A, B  [295].
The routines generated by SARAH perform a full one-loop matching in the given model to calculate the SM gauge and Yukawa couplings. This matching takes the constraints from the CKM matrix into account even if there are additional states which mix with the SM quarks. One-loop shifts to pole masses The one-loop mass spectrum is calculated from the information about the one-loop self-energies and tadpole equations. The procedure is a generalisation of the one explained in detail for the MSSM in Ref. [308]. The main features are • Any one-loop contribution in a given model to all fermions, scalars and vector bosons is included • The full p 2 dependence in the loop integrals is included • An iterative procedure is applied to find the on-shell masses m(p 2 = m 2 ). Two-loop shifts to Higgs pole masses SARAH can also generate Fortran code to calculate the two-loop corrections to the masses of the CP-even scalar states with SPheno 6.
Flavour observables The SPheno modules written by SARAH contain out-of-the-box routines to calculate many quark and lepton flavour violating observables: • Lepton flavour violation: -Br( i → j γ), Br( i → j k k ), Br(Z → i j ) -CR(µe, N ) (N=Al,Ti,Sr,Sb,Au,Pb), Br(τ → P ) (with P =π, η,η ) • Quark flavour violation: -Br(B → X s γ), Br(B 0 s,d → ¯ ), Br(B → s ¯ ), Br(K → µν) -Br(B → qνν), Br(K + → π + νν), Br(K L → π 0 νν) -∆M Bs,B d , ∆M K , K , Br(B → Kµμ) -Br(B → ν), Br(D s → ν) The calculation is based on the FlavorKit functionality  [293] , which makes use of the chain FeynArts-SARAH-SPheno. This provides a full one-loop calculation in a given model. In addition, this interface can be used to derive Wilson coefficients for new operators, and to calculate new observables with SPheno using the implemented coefficients.
FlexibleSUSY FlexibleSUSY is a Mathematica package which uses the SARAH-generated expressions for the mass matrices, self-energies, tadpole equations, vertices and RGEs to create a C++ spectrum generator for both SUSY and non-SUSY models. The spectrum generators created with FlexibleSUSY have the following features: • full two-loop running of all parameters • three-loop running of all parameters in the SM and MSSM, except for the VEVs • calculation of the pole mass spectrum at the full one-loop level • partial two-loop corrections to the Higgs masses in the SM, SplitMSSM, MSSM, NMSSM, UMSSM and E 6 SSM and partial three-loop corrections to the Higgs mass in the SplitMSSM • complete one-loop and partial two-loop threshold corrections at the scale Q = M Z or Q = M t • calculation of the hγγ and hgg effective couplings at N 3 LO • an interface to GM2Calc  [273]  in MSSM models without sfermion flavour violation FlexibleSUSY aims to generate spectrum generators which are modular such that components can be easily reused or replaced.
MakeSPheno []; We copy the generated Fortran code to a new sub-directory of SPheno-3. 3. 8 and compile it via $ cd $PATH / SPheno -3. 3. 8 $ mkdir U1xMSSM $ cp $PATH / SARAH / Output / U1xMSSM / EWSB / SPheno /* U1xMSSM / $ make Model = U1xMSSM We now have an executable SPhenoU1xMSSM which expects the input parameters from a file called LesHouches. in. U1xMSSM. The SPheno code provides many important calculations which would be very time-consuming to be performed 'by hand' for this model, but could be expected to be relevant. A central point is the calculation of the pole mass spectrum at the full one-loop (and partially two-loop) level. In particular, the loop corrections from the vector-like states are known to be very important. However, the focus in the literature has usually been only on the impact on the SM-like Higgs.
In particular, the link between SARAH and the spectrum generators FlexibleSUSY and SPheno is a powerful approach to obtain the mass spectrum and all the rotation matrices for any given model without neglecting flavour mixing, complex phases or 1st and 2nd generation Yukawa couplings. Optionally, one can also include all the important radiative corrections up to two loops. In addition, we have improved the functionality of FlexibleSUSY and SPheno to calculate the diphoton and digluon decay widths of neutral scalars, including the higher order QCD corrections up to N 3 LO. One can now pass on this information directly to Monte-Carlo tools, like CalcHep and MadGraph, by using the appropriate model files generated with SARAH. In order to study as many models in as much detail as possible, we have created a database of SARAH model files for many of the ideas proposed so far in the literature.
The database is also meant to provide many examples in the context of the diphoton excess with which the novel user can try out to familiarise with SARAH, in order to build up the level of expertise needed to implement their own models in the future. Finally, we have introduced an attractive SUSY model which combines the idea of non-decoupling D-terms with the explanation of the diphoton excess. We have used this as a new example to show how to use SARAH to first understand the model analytically at leading order. As a second step, we have performed a numerical analysis of the important loop corrections to the different masses, checked limits from Higgs searches, neutral gauge bosons searches, and from lepton flavour violation. We have demonstrated that this model could explain a large width of the 750 GeV scalar, but in this context limits from spontaneous R-parity violation become important.
Acknowledgements We thank  Martin Winkler  for beta-testing and valuable impact, and  Michael Spira  for helpful discussions. Mark Goodsell  acknowledges support from  Agence Nationale de Recherche  grant  ANR-15-CE31-0002  "HiggsAutomator," and would like to thank  Pietro Slavich  and  Luc Darmé  for interesting discussions. Avelino Vicente  acknowledges financial support from the " Juan de la Cierva" program  (  27-13-463B-731 ) funded by the  Spanish MINECO  as well as from the  Spanish  grants  FPA2014-58183-P , Multidark  CSD2009-00064  and  SEV-2014-0398  (MINECO),  FPA2011-22975  and  PROME-TEOII/2014/084  ( Generalitat Valenciana ), and is grateful to  Wei-Chih Huang  for discussions about the GTHDM model. Manuel E. Krauss  is supported by the  BMBF  grant  00160287  and thanks  Cesar Bonilla  for useful discussions on left-right models.
Lorenzo Basso acknowledges support by the  OCEVU Labex  ( ANR-11-LABX-0060 ) and the A* MIDEX  project ( ANR-11-IDEX-0001-02 ), funded by the " Investissements d'Avenir" French government program  managed by the  ANR. The work by  Peter Athron  is in part supported by the  ARC Centre of Excellence for Particle Physics at the Tera-scale. Dylan Harries  is supported by the  University of Adelaide  and the  ARC Centre of Excellence for Particle Physics at the Tera-scale. Florian Staub  thanks  Alfredo Urbano  for discussions about the  Georgi-Machacek model  and for testing the model file.
Background: Disordered compounds are crucially important for fundamental science and industrial applications. Yet most available methods to explore solid-state material properties require ideal periodicity, which, strictly speaking, does not exist in this type of materials. The supercell approximation is a way to imply periodicity to disordered systems while preserving "disordered" properties at the local level. Although this approach is very common, most of the reported research still uses supercells that are constructed "by hand" and ad-hoc. Results: This paper describes a software named supercell, which has been designed to facilitate the construction of structural models for the description of vacancy or substitution defects in otherwise periodically-ordered (crystalline) materials. The presented software allows to apply the supercell approximation systematically with an all-in-one implementation of algorithms for structure manipulation, supercell generation, permutations of atoms and vacancies, charge balancing, detecting symmetry-equivalent structures, Coulomb energy calculations and sampling output configurations.
During the first stage all possible symmetry operations that apply to the supercell are identified. The second stage is a part of the permutation iteration loop. During this stage, the symmetries calculated before are applied to the current atom configuration. The symmetry-search algorithm (stage one) generates symmetries on-the-fly and does not use any symmetry information from the input structure  5  or symmetry databases (no information about space group or Bravais lattice). The symmetry-search algorithm can be split in two parts. First, the algorithm searches for all possible crystallographic point groups for the lattice, to identify all linear transformations (rotations, inversions. etc), which transform the cell to itself. This step is performed on a supercell from which all disordered sites whose distribution is under investigation (i.
Coulomb energy calculations The Coulomb energy calculations implemented in the supercell program uses the Ewald summation algorithm, which achieves considerably increased accuracy as compared to a simple truncation for long-range potentials with 1/r asymptotic behavior. This algorithm has been described in many sources, and our implementation is based on equations published in  [37] , with a relative precision of the energy calculations set to 10 -7. The result of our implementation of the Ewald sum was tested by comparing the calculated energies with the Ewald energies obtained with the GULP code  [38] , which they match perfectly.
Technical details The supercell program is written in standard C++ language and should be compatible with all popular compilers (MSVC, GNU, Intel Compiler, MinGW, Clang), operating systems (Windows, Mac OS X, Linux, BSD, Windows/Cygwin) and platforms. The version of the program, presented in the paper successfully compiled on Linux platforms with GNU C++ 4. x, Clang 3. 4 and Intel ® 14. 0 compilers. We expect fewer risks of facing technical problems during installation procedures performed with GNU compilers. The CMake configure system is used for dependency check and cross-platform build. The code uses the Boost library for commandline argument processing, advanced file operations and REgular EXpression (regex) parsing. All operations on the structure of the compound (read/write CIF file, structure exploration and modification) are done with a customized version of the OpenBabel  [39]  library, which was modified by KO to handle partial occupancy in CIF file reading and writing operations.
This version of OpenBabel is available from the official Website  [40] , and the corresponding changes will be merged to the official OpenBabel repository  [41]. The supercell program also uses the libarchive library to archive output structures on-the-fly. A manual of the program is available in the distribution as a LaTeX source. The manual can be compiled to md (Unix man) and pdf file. Compiling to Unix man is carried out with a modified version of the latex2man script  [42]  (distributed with the program). This script requires Perl to be installed. To compile the manual to PDF, the pdflatex program should be available with latex-2man style files. Some limitations of the code should be taken into account. The program currently only has a serial implementation and consequently does not exploit the advantages of multiprocessor machines.
Comparison with existing solutions As already mentioned above, several solutions exist to systematically explore all possible atomic configurations from the long-range average structure of disordered crystals, which are listed in Table  1. Although all of them share the same general purposes, their implementations, sets of related algorithms and possible applications are quite different. The Site-Occupancy Disorder (SOD) program was historically first to implement such functionalities  [28]. Since 2007, the code has been used in studies of several classes of disordered solid-state compounds. The enumlib program  [29]  was introduced in 2008 and primarily used thereafter for the treatment of compositional disorder in metallic alloys. It was later (2013) wrapped in the pymatgen library  [43] , which considerably extended the possibilities of the program, allowing to customize the input and output of the program, and offering a variety of tools for data analysis.
The commercial CRYSTAL program  [31] , a well-known solution for DFT calculations, was very recently extended with a part dedicated to the treatment of disorder in crystals  [30]  (in version CRYSTAL14). The command line interface (CLI) was chosen for supercell to create a user-friendly and ready-to-use, but also flexible program, rather than the custom inputfile interface used in SOD, CRYSTAL14 and enumlib codes. The CLI is suitable both for manual user input and scripting automation and, combined with a verbose output, allows to set output data properties easily and step-by-step. The pymatgen library offers a very powerful Python-script approach to use enumlib, which is extremely flexible, but requires at least a basic level of programming skills as well as knowledge of the pymatgen library structure and common templates.
We note that the functionalities offered by pymatgen can also easily be used with our program. As most other solutions the supercell program is distributed with a manual (CLI parameters manual: Unix man) and a set of application examples illustrating all features of the program, which are described in detail below (and in Additional file 1). The functionalities offered by the different programs also present several significant differences. Much attention has been paid in supercell to facilitate the initial structure processing steps: direct input from cif files, the grouping functionality, and a flexible occupancy correction procedure. Other programs require that users perform these operations manually (CRYSTAL14, SOD, enumlib) or create a Python script for this (pymatgen). Contrarily to other programs supercell is not distributed with extra tools for output structures analyses and conversion, and authors recommend to use external tools like OpenBabel  [39]  and cif2cell  [44]  for the preparation of DFT calculation inputs and fpNMR  [45]  for structure analyses.
6 Finally, in contrast with SOD and CRYSTAL14 codes, which are limited to compounds having only one disordered crystallographic site involving two atom types (or one atom type and vacancies), Supercell, like enumlib, can handle multiple sites with complex compositions. Some features of the supercell code have been developed specifically to facilitate the treatment of the (very frequent) cases where large numbers of permutations are encountered (typically 10 5 -10 9 ). The code was tested for Sn 0. 5 Pb 0. 5 Te with a supercell consisting of 2 × 2 × 2 con- ventional cells. Both SOD and CRYSTAL code crashed during the run, although the CRYSTAL14 program showed excellent performance as far as the calculation of the total number of unique structures is concerned. Supercell was 60 times faster than enumlib on this particular example.
The free open-source license of supercell as well as its compatibility with any ab initio code via the OpenBabel and Cif2cell package and use of CIF as input and output format, makes it a valuable alternative to the implementation embedded in the commercial CRYSTAL package  [31]. We show that it offers significantly improved performance and versatility over the enumlib  [29]  and SOD program  [28]  (other comparable free open-source solutions) as well as additional tools for the crucial step of structure selection. The supercell program should be treated as a completed software, even though we encourage users to suggest and/or implement improvements that would keep and possibly improve the broadness of its applicability. The released version has well-tested algorithms, a powerful command-line user interface that makes it easily embedded into shell scripts, and support material, including a manual and examples.
Project name: supercell Project home page: https://github. com/orex/supercell Operating system(s): Linux, can be compiled for other systems. Programming language: C++ Other requirements: Boost 1. 46 or higher, CMAKE 2. 6 or higher, OpenBabel  [40, 41] , Eigen 3. x, LibArchive (optionally). Perl and LaTeX are needed to compile manual. License: GNU GPL Any restrictions to use by non-academics: according GNU GPL terms.
Acknowledgements We are grateful to  Ricardo Grau-Crespo  for the provided SOD code and maghemite input files. KO and SC are grateful to  Franck Fayon  ( CEMHTI-CNRS ,  Univ. Orléans)  for testing the program and for discussions that contributed to its improvement, and in particular the addition of Coulomb-energy calculations. We thank the  French Agence Nationale de la Recherche  for funding by Grants  ANR-11-MONU-003-ExaviZ  (KO and  SC ) and  ANR-13-BS08-0012-DyStrAS  (KO and TC), and to the " Centre de Calcul Scientifique en Région Centre" (CCSC, Orléans, France ) for access to computational resources. We are also grateful to anonymous reviewer, who suggested applications on piezoelectric PbZr x Ti 1-x O 3 (PZT) ceramics to which our program can be successfully applied (see Additional file 1).
YACC uses super-blocks to reduce tag overheads while packing variable-size compressed blocks to reduce internal fragmentation. YACC achieves the benefits of two state-of-the art compressed caches-Decoupled Compressed Cache (DCC) [Sardashti and Wood 2013a,  2013b]  and Skewed Compressed Cache (SCC)  [Sardashti et al. 2014 ]-with a more practical and simpler design. YACC's cache layout is similar to conventional caches, with a largely unmodified tag array and unmodified data array. Compared to DCC and SCC, YACC requires neither the significant extra metadata (i. e. , back pointers) needed by DCC to track blocks nor the complexity and overhead of skewed associativity (i. e. , indexing ways differently) needed by SCC. An additional advantage over previous work is that YACC enables modern replacement mechanisms, such as RRIP.
Skewed associativity has not found widespread adoption by the industry. Since each cache way is indexed by a different hash function, SCC needs a separate address decoder for each tag way, increasing area and complexity. SCC also cannot use modern cache replacement policies, as skewing eliminates the conventional notion of a cache set. Thus, this makes it difficult or impossible to exploit many of the modern LLC cache replacement policies that have been proposed in the past decade  [Jaleel et al. 2010]. In this article, we propose Yet Another Compressed Cache (YACC). The main goal of YACC is to achieve the effectiveness of the DCC and SCC proposals but with a simple and low overhead design. DCC requires changes to the tag array (to add back pointers as well as other state bits) and data array (to access sub-blocks).
SCC requires changes only to the tag array but requires separate decoders to implement the different hash functions as well as adding additional state bits. On the other hand, YACC can be used with a largely unmodified tag array and an unmodified data array. To achieve these goals, YACC inherits the main sources of efficiencies in DCC and SCC: • YACC uses super-block tags (i. e. , each tag tracks up to four neighboring blocks) to lower tag area overhead. • YACC compacts neighboring blocks with similar compression ratios in one data entry (i. e. , 64 bytes) and tracks them with a super-block tag. In this way, it can track up to four times more compressed blocks with low tag area overhead. • YACC keeps a compressed block within a data entry in the cache (i. e. , not scattering sub-blocks across a set), eliminating the need for an alignment network.
On the other hand, YACC addresses the remaining sources of complexities in previous work: • Unlike SCC and DCC, YACC's cache layout is similar to conventional caches, with a largely unmodified tag array and unmodified data array. Independent of a block's compression ratio, YACC allows it be allocated in any way of a conventional set. • Unlike SCC and DCC, YACC's simple, conventional tag mapping allows designers to implement the whole spectrum of recently proposed LLC replacement policies. • Compared to DCC, YACC uses less area and a simpler access path by eliminating the backward pointers and using a conventional data array. • Unlike previous variable-size compressed caches that could store sub-blocks of a compressed block across different cache ways, YACC makes cache design simpler by storing a compressed block in one cache way.
Thus, similar to a regular cache, on an access to a block, YACC activates only one cache way and thus does not need any extra alignment network. • Unlike SCC, YACC eliminates the extra area and complexity of skewing. • Unlike either DCC or SCC, YACC can also use modern replacement policies, such as RRIP  [Jaleel et al. 2010] , further reducing cache design complexity. • YACC also provides some additional mechanisms to improve effective cache efficiencies. For example, YACC allows in-place expansion of a block, if the block size grows and is the only resident of a data entry. In such a case, SCC will invalidate the block and reallocate that to a different data entry, incurring higher overheads. In addition, unlike SCC, which stores blocks of a super-block in order, YACC could store nonadjacent blocks of a super-block together.
Most prior work limits the allocation granularity to sub-blocks, ranging in size from 8 to 32 bytes, but differ in how they allocate sub-blocks across a set. VSC and DCC treat the entire cache set as a pool of sub-blocks, eliminating the conventional notion of a (data) cache way. Although VSC requires a complex data alignment network, Sardashti and Wood explained how to extend the AMD Bulldozer cache design to read out sub-blocks without an alignment network  [Sardashti and Wood 2013a, 2013b ]. However, their technique still requires changes to the data array and only works when the LLC datapath is no larger than the sub-block size. Conversely, SCC and YACC support variable-size compression but always access a full cache block and thus require no changes to the data array or explicit data alignment network.