{"id":18078917,"url":"https://github.com/wojdyr/debyer","last_synced_at":"2025-04-12T12:05:56.442Z","repository":{"id":9626428,"uuid":"11555119","full_name":"wojdyr/debyer","owner":"wojdyr","description":"Debye's scattering equation \u0026 other analysis of atomistic models.","archived":false,"fork":false,"pushed_at":"2023-12-05T16:51:05.000Z","size":314,"stargazers_count":52,"open_issues_count":1,"forks_count":18,"subscribers_count":8,"default_branch":"master","last_synced_at":"2025-03-26T06:43:44.096Z","etag":null,"topics":["atomistic-models","crystallography","debye-scattering-equation","saxs"],"latest_commit_sha":null,"homepage":"http://debyer.readthedocs.org/","language":"C++","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":"hhfff/forum","license":"gpl-2.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/wojdyr.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"COPYING","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null}},"created_at":"2013-07-21T00:41:45.000Z","updated_at":"2025-03-09T10:40:19.000Z","dependencies_parsed_at":"2022-09-17T22:50:35.013Z","dependency_job_id":"9d365ddd-b98f-4cf7-8a94-9f64817a2ed2","html_url":"https://github.com/wojdyr/debyer","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/wojdyr%2Fdebyer","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/wojdyr%2Fdebyer/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/wojdyr%2Fdebyer/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/wojdyr%2Fdebyer/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/wojdyr","download_url":"https://codeload.github.com/wojdyr/debyer/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248565060,"owners_count":21125415,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["atomistic-models","crystallography","debye-scattering-equation","saxs"],"created_at":"2024-10-31T12:16:42.524Z","updated_at":"2025-04-12T12:05:56.414Z","avatar_url":"https://github.com/wojdyr.png","language":"C++","funding_links":[],"categories":[],"sub_categories":[],"readme":"Debyer and companion programs analyze and manipulate atomistic models.\nIn particular, debyer can calculate powder diffraction pattern of virtual\nsample using the Debye scattering formula.\nThis project used to be hosted at google code.\n\n[![Travis Status](https://travis-ci.org/wojdyr/debyer.svg?branch=master)](https://travis-ci.org/wojdyr/debyer)\n[![Coverity Status](https://scan.coverity.com/projects/4820/badge.svg)](https://scan.coverity.com/projects/4820)\n\nDocumentation\n=============\n\nis kept in doc/ and can be read at http://debyer.readthedocs.org/\n\nInstallation\n============\n\nWhen installing from git, you must have `autoconf`, `automake` and\n`gengetopt`, and run first:\n\n    autoreconf -i\n\nThe rest of the build procedure is:\n\n    ./configure CFLAGS=\"-O3 -ffast-math\" [MORE OPTIONS]\n    make\n    sudo make install\n\nZlib and bzlib libraries are optional prerequisites.\nIf you don't have them installed, use `--without-zlib`\nor `--without-bzlib` options, respectively -- the programs will work fine,\njust won't be able to read `.gz` and `.bz2` files.\n\nThe `make` command builds `debyer` and a few programs with\nnames staring with `dbr_`.\n\n`make install` copies the programs to *PREFIX*/bin\n(*PREFIX* is `/usr/local` unless set explicitly with\n`configure --prefix=...`)\n\nA few configure options have been introduced to speed up Debyer.\nDefaults are: OpenMP, double precision and `-O2 -g` compiler flags.\nIf your compiler has option `-ffast-math`, adding it to `CFLAGS`\nis safe and can make the program faster.\n\n* `--disable-openmp` builds serial version\n* `--enable-mpi` builds parallel version using MPI;\n  it turns off OpenMP-based parallelization as a side effect\n* `--enable-single` uses single precision (double precision is default)\n* `CFLAGS` -- Debyer includes both C++ and C code. The computationally\n  intensive part happens to be written in C, so `CFLAGS` matters more than\n  `CXXFLAGS`. `CFLAGS=\"-O3 -ffast-math -march=native\"` should give\n  good results.\n\nIf Debyer is compiled with OpenMP, environment variable `OMP_NUM_THREADS`\ncan be used to control the number of threads.\n\n\nAlternatively,\n--------------\n\nyou may compile Debyer without autotools and make,\ndirectly calling your compiler:\n\n    cd debyer\n\n    c++ -O3 -ffast-math -fopenmp -o debyer cmdline.c debyer.c atomtables.c \\\n        main.cc lineio.cc fileio.cc -lm\n\nOther programs can also be compiled this way, for instance:\n\n    c++ -O3 -o dbr_conv conv.cc debyer.c lineio.cc fileio.cc atomtables.c -lm\n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fwojdyr%2Fdebyer","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fwojdyr%2Fdebyer","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fwojdyr%2Fdebyer/lists"}