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b58ba6a50402fe99d5082db4129ab40aa4075eee7164b9cbe3b30a851243e67b
C/C++
22,527
542
/* Copyright (c) 2008-2026 the MRtrix3 contributors. * * This Source Code Form is subject to the terms of the Mozilla Public * License, v. 2.0. If a copy of the MPL was not distributed with this * file, You can obtain one at http://mozilla.org/MPL/2.0/. * * Covered Software is provided under this License on an "a...
f10940ac83e6be7f11695ab1df037637b2097fd5712005a9282fb41c6be4c6b4
C/C++
22,528
512
/* * Copyright (C) 2010 Regents of the University of Michigan * * This program is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 3 of the License, or * (at your option) any later v...
9c9226b50526b628715f2dbd85aa255fd5671338f48bb982f5dce70d839bd771
C/C++
22,553
761
/* * Copyright (C) 2010 Regents of the University of Michigan * * This program is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 3 of the License, or * (at your option) any later v...
543ff796996dadcc4ff59855c2cee6599236a442de3815ca907fe1f98fbe85eb
C/C++
22,749
475
/* Copyright (c) 2008-2026 the MRtrix3 contributors. * * This Source Code Form is subject to the terms of the Mozilla Public * License, v. 2.0. If a copy of the MPL was not distributed with this * file, You can obtain one at http://mozilla.org/MPL/2.0/. * * Covered Software is provided under this License on an "a...
a0eda5acac4aeb0c296b29c517e707b4646caa001360019ae3887f0ad38b2f80
C/C++
22,816
821
/* Copyright (c) 2012-2013 Genome Research Ltd. Author: James Bonfield <jkb@sanger.ac.uk> Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this l...
23fcacbe72dfec795a42c89f9c7a8b5b5f7608a1fa2c28bdcef5134bee208eb7
C/C++
22,982
662
// *************************************************************************** // BamAlignment.h (c) 2009 Derek Barnett // Marth Lab, Department of Biology, Boston College // --------------------------------------------------------------------------- // Last modified: 25 July 2013 (DB) // ------------------------------...
e52e19384a6b79b34e8475f1801a4958a7d4642e3312cd59cd53ef7325d60f0e
C/C++
23,487
852
/*! @file mpl.h @brief Defines the Morphy Phylogenetic Library API: a library for phylogenetic computation accommodating morphological character hierarchies. Copyright (C) 2017 Martin D. Brazeau This program is free software: you can redistribute it and/or modify it under the terms of the GNU Gen...
bfd3a8a6f3be149aa812b51e057757c7a8a70619e7461bcd13cf5ac921845cec
C/C++
23,921
598
/* Copyright (c) 2008-2026 the MRtrix3 contributors. * * This Source Code Form is subject to the terms of the Mozilla Public * License, v. 2.0. If a copy of the MPL was not distributed with this * file, You can obtain one at http://mozilla.org/MPL/2.0/. * * Covered Software is provided under this License on an "a...
6b07e4d33b3a77c4957c4ad7f5415f82d78abf1ef0a5bbbff7d1b6297ec93077
C/C++
24,291
471
// Generated by using Rcpp::compileAttributes() -> do not edit by hand // Generator token: 10BE3573-1514-4C36-9D1C-5A225CD40393 #ifndef RCPP_STAAR_RCPPEXPORTS_H_GEN_ #define RCPP_STAAR_RCPPEXPORTS_H_GEN_ #include <RcppArmadillo.h> #include <Rcpp.h> namespace STAAR { using namespace Rcpp; namespace { ...
a629f84337ff1250ca8c6ca321b60ff4e5808d93b498d052c3bef6e06dcce3ce
C/C++
24,584
455
/** * Copyright (c) 2011-2012 ADInstruments. All rights reserved. * * \ADIDatFileSDK_license_start * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * 1. Redistributions of source code must retain the above copyright no...
7412f5aa6ebd3c5c872c896000e20631c53abee0fd1a8a5be60a327e1279f565
C/C++
26,587
953
/** * Copyright 1993-2017 NVIDIA Corporation. All rights reserved. * * Please refer to the NVIDIA end user license agreement (EULA) associated * with this source code for terms and conditions that govern your use of * this software. Any use, reproduction, disclosure, or distribution of * this software and relate...
31389f7f1824cadd11b950eb30263a93efd0082e62cd4fd9893ee6b5f74699ea
C/C++
26,687
586
/* Copyright (c) 2008-2026 the MRtrix3 contributors. * * This Source Code Form is subject to the terms of the Mozilla Public * License, v. 2.0. If a copy of the MPL was not distributed with this * file, You can obtain one at http://mozilla.org/MPL/2.0/. * * Covered Software is provided under this License on an "a...
451a7a5f398358b20904263edc5545be38792fa06904f9f6eccb65e7e02fbd96
C/C++
26,693
664
/* Copyright (c) 2008-2026 the MRtrix3 contributors. * * This Source Code Form is subject to the terms of the Mozilla Public * License, v. 2.0. If a copy of the MPL was not distributed with this * file, You can obtain one at http://mozilla.org/MPL/2.0/. * * Covered Software is provided under this License on an "a...
ceb6e1dea58a35fc89d6c4c1c5f81ca3b729722686379a2c01e166740d375f6f
C/C++
26,995
924
/************************************************************************/ /* Public implementation follows */ /************************************************************************/ /*--- Defines ----------------------------------------------------------*/ /* None */ /*--- Types -------------------------...
d490452a22b97c44cc8542e59fdd14666d5ba5167eaa05e8c50745832c1e462c
C/C++
28,129
800
/*# Small Deflate `sdefl` is a small bare bone lossless compression library in ANSI C (ISO C90) which implements the Deflate (RFC 1951) compressed data format specification standard. It is mainly tuned to get as much speed and compression ratio from as little code as needed to keep the implementation as concise as poss...
e351bdf841919d3b8c0cc9f8718a5a753a23cd75281b103c23932cbb9a91f0b8
C/C++
28,161
758
/* Copyright (c) 2008-2026 the MRtrix3 contributors. * * This Source Code Form is subject to the terms of the Mozilla Public * License, v. 2.0. If a copy of the MPL was not distributed with this * file, You can obtain one at http://mozilla.org/MPL/2.0/. * * Covered Software is provided under this License on an "a...
3384f574bc3b0e13f70e760888e493aee2d680d3b031edb7f9c7f0b492d58bdd
C/C++
28,205
768
#ifndef ARGUMENTS_H #define ARGUMENTS_H // Version constant - update this for each release #define GENIE_VERSION "1.2.2" #include <iostream> #include <string> #include <sstream> #include <map> #include <fstream> #include "io.h" #include "std.h" using namespace std; int io::debug = 0; struct options{ std::string G...
0fb9f1fb1062fc768d01fd05d92aa76a83dd99424bd4ac7058ec1dedcd93ecce
C/C++
29,109
795
/* * Copyright (C) 2010-2012 Regents of the University of Michigan * * This program is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 3 of the License, or * (at your option) any la...
29bde140f503fc8eeda9a4af8d9673cf5bcd487f5aa3082338e8e96baca95788
C/C++
29,188
882
/*<html><pre> -<a href="qh-user_r.htm" >-------------------------------</a><a name="TOP">-</a> user.h user redefinable constants for each source file, user_r.h is included first see qh-user_r.htm. see COPYING for copyright information. See user_r.c for sample code. ...
9f1db09043bdb93689870f2dad7f6bccf7940ee1b283ab99536bfc50eee5b6fe
C/C++
29,363
598
/* Copyright (c) 2008-2026 the MRtrix3 contributors. * * This Source Code Form is subject to the terms of the Mozilla Public * License, v. 2.0. If a copy of the MPL was not distributed with this * file, You can obtain one at http://mozilla.org/MPL/2.0/. * * Covered Software is provided under this License on an "a...
006ce4c725de5bb666a3cd5cc9674ca7c5ef67cdecd321a1e9e3cd1b3a31a76f
C/C++
30,300
909
/*<html><pre> -<a href="qh-user.htm" >-------------------------------</a><a name="TOP">-</a> user.h user redefinable constants for each source file, user.h is included first see qh-user.htm. see COPYING for copyright information. See user.c for sample code. before r...
821e97d79c1c48575feb66878c92878cfa71f47e458ba121f9bde95d4cacd5dd
C/C++
31,061
536
/* Copyright (c) 2008-2026 the MRtrix3 contributors. * * This Source Code Form is subject to the terms of the Mozilla Public * License, v. 2.0. If a copy of the MPL was not distributed with this * file, You can obtain one at http://mozilla.org/MPL/2.0/. * * Covered Software is provided under this License on an "a...
50b19383fa0d1c497a1b6f74797fddebb6167f29ab3fdd0cba0e771a932d749b
C/C++
33,772
838
/* * Copyright (C) 2010-2011 Regents of the University of Michigan * * This program is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 3 of the License, or * (at your option) any la...
e10a77dbd9ed51f93cb73706fbb054e13c1c7f0c831ce966d607822c431bbff0
C/C++
33,798
683
/** * Copyright 1993-2013 NVIDIA Corporation. All rights reserved. * * Please refer to the NVIDIA end user license agreement (EULA) associated * with this source code for terms and conditions that govern your use of * this software. Any use, reproduction, disclosure, or distribution of * this software and relate...
4dc1d206f104ed390d70794d3287fbf0c24748ea4ac39f86c860c74a16b9371b
C/C++
35,433
1,611
/* * fast_obj * * Version 1.3 * * MIT License * * Copyright (c) 2018-2021 Richard Knight * * Permission is hereby granted, free of charge, to any person obtaining a copy * of this software and associated documentation files (the "Software"), to deal * in the Software without restriction, including without li...
b0e5e1e20960dbf64891d9c1578b4c69872d926063eba4081a6ce9df3daee124
C/C++
38,472
1,469
/* Copyright (c) 2022, NVIDIA CORPORATION. All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions * are met: * * Redistributions of source code must retain the above copyright * notice, this list of condi...
d3e124948bf5cba8f52df67031fc94615fcf205686e59ff63dd4eeb81414c7b8
C/C++
39,884
914
/* vcf.h -- VCF/BCF API functions. Copyright (C) 2012, 2013 Broad Institute. Copyright (C) 2012-2014 Genome Research Ltd. Author: Heng Li <lh3@sanger.ac.uk> Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), ...
71f95c1f97ef567235540c038b41906091fcef1ef68046f2933cd5989f94ea93
C/C++
40,367
962
/** * clusterlod - a small "library"/example built on top of meshoptimizer to generate cluster LOD hierarchies * This is intended to either be used as is, or as a reference for implementing similar functionality in your engine. * * To use this code, you need to have one source file which includes meshoptimizer.h an...
bd3ca2dd9c6cdc2dc6b3ae62cc770e50ce067ee383c69b01d675549df724daa3
C/C++
43,116
995
/*************************************************************************** *cr *cr (C) Copyright 1995-2006 The Board of Trustees of the *cr University of Illinois *cr All Rights Reserved *cr ***************************************************************...
2fb8d9d82ad7a3486ba1569d7400016b4cc9efb0d8680c8e99f6ecef6c7b7b81
C/C++
44,568
1,004
/* Copyright (c) 2008-2026 the MRtrix3 contributors. * * This Source Code Form is subject to the terms of the Mozilla Public * License, v. 2.0. If a copy of the MPL was not distributed with this * file, You can obtain one at http://mozilla.org/MPL/2.0/. * * Covered Software is provided under this License on an "a...
8236e9217cad0077bb19bc22af08d50a0d1eab8c0f919402102f85941f22c705
C/C++
45,483
1,222
/* Copyright (c) 2008-2026 the MRtrix3 contributors. * * This Source Code Form is subject to the terms of the Mozilla Public * License, v. 2.0. If a copy of the MPL was not distributed with this * file, You can obtain one at http://mozilla.org/MPL/2.0/. * * Covered Software is provided under this License on an "a...
4c210b32b5ba605b059c54d5edd6f01bf04190de49a0abeecec76420cd072a72
C/C++
49,191
874
/* Copyright 2010-2011, D. E. Shaw Research. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions, and the f...
39dfbee17d69a12cb6717646d7799471df79c66e206cc0e4e957c108a5525865
C/C++
52,402
1,140
/*<html><pre> -<a href="qh-qhull.htm" >-------------------------------</a><a name="TOP">-</a> libqhull.h user-level header file for using qhull.a library see qh-qhull.htm, qhull_a.h Copyright (c) 1993-2015 The Geometry Center. $Id: //main/2015/qhull/src/libqhull/libqhull...
4b81774e5b7cdb085788e1ac40ed3c22bb8223f40df7e5a10a6622c7440ec3b2
C/C++
52,828
1,134
/*<html><pre> -<a href="qh-qhull_r.htm" >-------------------------------</a><a name="TOP">-</a> libqhull_r.h user-level header file for using qhull.a library see qh-qhull_r.htm, qhull_ra.h Copyright (c) 1993-2015 The Geometry Center. $Id: //main/2015/qhull/src/libqhull_r...
cbb006cd6ed0ce83b07c7757054bacf6abf70c98b7f05a9408216845ce791c0a
C/C++
67,656
1,448
#ifndef _NIFTI_HEADER_ #define _NIFTI_HEADER_ /***************************************************************************** ** This file defines the "NIFTI-1" header format. ** ** It is derived from 2 meetings at the NIH (31 Mar 2003 and ** ** 02 Sep 2003) of the Data Format Working...
55d826cd20d5d229282d0bf53cb5ff9fe6ea5768ee36e371c8ac6c35a5a6b439
C/C++
72,343
2,207
/// Json-cpp amalgated header (http://jsoncpp.sourceforge.net/). /// It is intended to be used with #include "json/json.h" // ////////////////////////////////////////////////////////////////////// // Beginning of content of file: LICENSE // ////////////////////////////////////////////////////////////////////// /* The...
2bf73fdb6e803935b0e96bf120d2cb00a2a59386075cc4db293ab036f58c2172
C/C++
76,330
1,342
/* Copyright (c) 2008-2026 the MRtrix3 contributors. * * This Source Code Form is subject to the terms of the Mozilla Public * License, v. 2.0. If a copy of the MPL was not distributed with this * file, You can obtain one at http://mozilla.org/MPL/2.0/. * * Covered Software is provided under this License on an "a...
2d0877a66d7053250813b8430ae560a4836063df7d2daffa445c8b2c4ccdce66
C/C++
110,033
1,735
/** * meshoptimizer - version 1.3 * * Copyright (C) 2016-2026, by Arseny Kapoulkine (arseny.kapoulkine@gmail.com) * Report bugs and download new versions at https://github.com/zeux/meshoptimizer * * This library is distributed under the MIT License. See notice at the end of this file. */ #pragma once #include <...
9b8aaddcc011921d6aac2e94308942200b2c91c04bcd2f3f96db0534ca448e9e
C/C++
200,000
7,028
/** * cgltf - a single-file glTF 2.0 parser written in C99. * * Version: 1.15 * * Website: https://github.com/jkuhlmann/cgltf * * Distributed under the MIT License, see notice at the end of this file. * * Building: * Include this file where you need the struct and function * declarations. Have exactly one so...
b729a8941cd4aea54b06fe92e0735b71f74c0fe0511b753784da41d9cbace916
CUDA
2,462
79
/** * block loading rho calculation. should be much faster * system('nvcc -ptx citydist_rho4.cu') * iA is multiple of chunk (16) */ #include <cuda_runtime.h> // #include "cublas_v2.h" #include <math.h> #define ABS(my_val) ((my_val) < 0) ? (-1*(my_val)) : (my_val) #define MIN(A,B) ((A)<(B)) ? (A) : (B) #define MAX(A...
bd49152ae68cc270b5616d125b6068c2467b56ea70f2f1be7a512d0b4f6654cf
CUDA
2,549
83
/** * block loading rho calculation. should be much faster * system('nvcc -ptx citydist_rho4.cu') * iA is multiple of chunk (16) */ #include <cuda_runtime.h> // #include "cublas_v2.h" #include <math.h> #define ABS(my_val) ((my_val) < 0) ? (-1*(my_val)) : (my_val) #define MIN(A,B) ((A)<(B)) ? (A) : (B) #define MAX(A...
be06f89dba0ac39084de3ef507f144cb25927b85d64153f0e0b67d9757b02007
CUDA
2,557
83
/** * block loading rho calculation. should be much faster * system('nvcc -ptx citydist_rho4.cu') * iA is multiple of chunk (16) */ #include <cuda_runtime.h> // #include "cublas_v2.h" #include <math.h> #define ABS(my_val) ((my_val) < 0) ? (-1*(my_val)) : (my_val) #define MIN(A,B) ((A)<(B)) ? (A) : (B) #define MAX(A...
332877bd3304c793496755e783546f6f8e080f15ed495c69516b86e91f18a9ef
CUDA
3,824
118
/** * block loading rho calculation. should be much faster * system('nvcc -ptx citydist_rho4.cu') * iA is multiple of CHUNK (16) */ #include <cuda_runtime.h> // #include "cublas_v2.h" #include <math.h> #define ABS(my_val) ((my_val) < 0) ? (-1*(my_val)) : (my_val) #define MIN(A,B) ((A)<(B)) ? (A) : (B) #define MAX(A...
2abf3e7827954caa454b0f1af7fa2d2607ec318dc1461a255cfded47d3b50007
CUDA
3,829
118
/** * block loading rho calculation. should be much faster * system('nvcc -ptx citydist_rho4.cu') * iA is multiple of CHUNK (16) */ #include <cuda_runtime.h> // #include "cublas_v2.h" #include <math.h> #define ABS(my_val) ((my_val) < 0) ? (-1*(my_val)) : (my_val) #define MIN(A,B) ((A)<(B)) ? (A) : (B) #define MAX(A...
cc1ac4267bd109166a5a973b8485bec0c5be3bfd45b395409ff41f98d2630853
CUDA
4,701
126
/** * jrc_cuda_rho.cu * block loading rho calculation. should be much faster * system('nvcc -ptx -m 64 -arch sm_35 jrc_cuda_rho.cu') * i1 is multiple of chunk (16) * J. James Jun, Vidrio Technologies, LLC., 2017 Jun 11 * 7/13/17: fDc_spk option added, which uses spike-specific distance cut-off (dc) */ #include <...
a0c047ebb6205915e78a6356ebf77f20a34410ab597f836354d03e6a26cabbf3
CUDA
5,500
142
/** * jrc_cuda_delta.cu * block loading delta calculation. should be much faster * system('nvcc -ptx -m 64 -arch sm_35 jrc_cuda_rho.cu') * iA is multiple of CHUNKSIZE (16) * J. James Jun, Vidrio Technologies, LLC., 2017 Jun 11 */ #include <cuda_runtime.h> #include <math.h> #define ABS(my_val) ((my_val) < 0) ? (-1...
16839b4321797133435fd448e8514b0f553b929dd48b04e3cb215ddd97ad116f
CUDA
7,344
193
/* Solid voxelization based on the Schwarz-Seidel paper. */ #include "voxelize.cuh" #ifdef _DEBUG __device__ size_t debug_d_n_voxels_marked = 0; __device__ size_t debug_d_n_triangles = 0; __device__ size_t debug_d_n_voxels_tested = 0; #endif #define float_error 0.000001 // use Xor for voxels whose corresponding bi...
6d3c85850aac51bf9c90dcfeb171c0928edb5db470ff65de65eada62575928a5
CUDA
7,606
185
#ifndef THC_GENERIC_FILE #define THC_GENERIC_FILE "generic/batchnormp_cuda.cu" #else #define DeviceTensor3 THCDeviceTensor<real, 3> #define DeviceTensor1 THCDeviceTensor<real, 1> template <int Dim> static THCDeviceTensor<real, Dim> devicetensor(THCState *state, THCTensor *t) { if (!t) { return THCDeviceTensor<r...
9acf0463d6d4ee0eb89a3bd70fd9d5c48c68b0930537315e5fa809a6cfe86bd7
CUDA
10,921
238
#include "voxelize.cuh" // CUDA Global Memory variables // Debug counters for some sanity checks #ifdef _DEBUG __device__ size_t debug_d_n_voxels_marked = 0; __device__ size_t debug_d_n_triangles = 0; __device__ size_t debug_d_n_voxels_tested = 0; #endif // Possible optimization: buffer bitsets (for now: ...
15937598ab961ce9053168031ef2299d2353a4d97c3c263e30d80c2334f4ae5c
CUDA
12,987
363
#include "THCUNN.h" #include "common.h" #include "THCHalf.h" #include "THCHalfAutoNumerics.cuh" #include "THCDeviceTensor.cuh" #include "THCDeviceTensorUtils.cuh" #include "THCDeviceUtils.cuh" const int WARP_SIZE = 32; // The maximum number of threads in a block const int MAX_BLOCK_SIZE = 512; // Number of threads i...
5dae461a73e2678466ed81da0be072d522abb23b23d126bf72ffc6a1da42bd3b
CUDA
21,991
402
/* * Copyright 2014 Google Inc. All rights reserved. * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. * You may obtain a copy of the License at * * http://www.apache.org/licenses/LICENSE-2.0 * * Unless required by applicab...
11ad40a2e18bf48bf0c0c13633074c4d3fead9d4c6081bc3e0300e8466a42d03
CUDA
27,980
947
/* Copyright (C) 2014 Sergey Demyanov. contact: sergey@demyanov.net http://www.demyanov.net This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any l...
59f80d74c02740121855b50e828c3007c8cb8add9b2bc1461ad017fae8d28328
CUDA
34,098
631
/* * Copyright 2014 Google Inc. All rights reserved. * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. * You may obtain a copy of the License at * * http://www.apache.org/licenses/LICENSE-2.0 * * Unless required by applicab...
1e3c977d65fdbce4d16a30562f0b88dbd6686962ad763c5a2ff5f9691d6dcafe
CUDA
62,422
1,520
/* * Copyright 2014 Google Inc. All rights reserved. * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. * You may obtain a copy of the License at * * http://www.apache.org/licenses/LICENSE-2.0 * * Unless required by applicab...
bb222668e665b9a0e4302d62e03b7049785e35968af96e285d78168064dc662f
CUDA
83,744
1,364
/* * Author: Alex Krizhevsky (akrizhevsky@google.com) */ #include "mat_gpu.h" /* * Block size: 16x16. * blockIdx.x determines case in batches of 16*imgsPerThread. * blockIdx.y determines 4x4 image region in target image. * * threadIdx.x determines case. * threadIdx.y determines pixel. * * hidActs: (num...
d6982c75396527afcafe7f9b67d5906e2daf8c5f371feef09ce4659acf6046bb
CUDA
103,740
1,634
/* * Copyright 2014 Google Inc. All rights reserved. * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. * You may obtain a copy of the License at * * http://www.apache.org/licenses/LICENSE-2.0 * * Unless required by applicab...
5ffe6359805808e4bf4c43fee3c53f326a744f8d2cfcbea75e17fae026929ca8
CUDA
114,221
2,026
/* * Copyright 2014 Google Inc. All rights reserved. * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. * You may obtain a copy of the License at * * http://www.apache.org/licenses/LICENSE-2.0 * * Unless required by applicab...
0d035cfa7495d54ef0185f18ae0ed53e5d6c0b6d4922ba09d66b8fd9f5758766
Fortran
17
2
call sygvd() end
59db09686b784a29e3699c6dbf1f68a127e93e828646b9e6ee5aedc4acec368d
Fortran
170
3
character(len=*),parameter :: version = "@version@ (@commit@)" character(len=*),parameter :: date = "@date@" character(len=*),parameter :: author = "'@author@@@origin@'"
3aa454b66e1dcc0655e6ac9cc7ebb5a741e8bc6e3fd31ac32420a95d0daf21d1
Fortran
820
28
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
b0103cf8331023b672db1ab6338203a2447f8e7ed6c826aa54204b1d4b56556d
Fortran
837
25
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
fe64b605519e629525eab25ad852776fbe58f3b0857bc73e3fdeeda79fe18afd
Fortran
936
27
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
4a210b41c74711b8dd453ac5de2f5ca732a59cefebfee220644189edc8f6c4ef
Fortran
945
27
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
7f335c49cef76a54b863862e6f6992a9452a27ffe4fcb3332085ffe7fc97d92a
Fortran
950
28
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
a180db866b02439dd0439bc5c0e53fedb2256e6b98cb87f6efb85dce578d4071
Fortran
955
30
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
b21632ad0ab61b25a4db0196338ac1ca1fb24163af25419344b4be75e68bb2e1
Fortran
962
33
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
13d515eebb48b7e11c407e5ea2d7d0c577bb14832892449c09090eea9e0987a3
Fortran
1,077
39
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
ef3ccb4638a2c8416243530d324ec10d0d8b96e9ebe78a1baac212a60cb6d6f0
Fortran
1,113
32
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
8c79fa5acdea81cfa96d560da09bf1d5bd97e178f98c15a9782b5bf414852e68
Fortran
1,247
39
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
f47f2d8d9140be5fe2323846b9a9f2a7a765098958a9b586b36e8795476aa1bf
Fortran
1,253
50
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
7a8a3b859c1cecdfe7520c1139259f9b60e86f284681742677e6f34f461341ed
Fortran
1,257
43
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
2ef3cc3c6f738d5414381ee1110478b1ce0f891022406b7222bda6e7d93affdb
Fortran
1,258
44
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
566a28ecd64aca141bdc9945aafcf5999e7f02a72a4be1d4173577adc57dd7f2
Fortran
1,289
44
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
37e15156eed166c75d81649e2f82470e2b4bb09bcec8f2a5a7d39cd545e29860
Fortran
1,290
41
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
3fefd602134b1e8a41940735a74da979727d3f90723d1cf5b2e3a68251c392b5
Fortran
1,305
42
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
0da6040959f529fee6a233b9865f7200273cb6ec1c45a78df95e495b58a4dd22
Fortran
1,333
45
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
c0d5dc7cb7ea0abebcc5d61b643c9cb51d78c44a96bd984015d2d68648cc57e3
Fortran
1,347
56
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
2338912990cdc0794811c739af5742b078209ac07bc5e9155e800016c996db41
Fortran
1,398
46
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
619598113718b52ae81bdb45a054fc0a500520e54f316ee7d9fd0e950815b34b
Fortran
1,460
40
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
6c05a1dfef4db40b1069072d6fd698be08072dd52b30059c9721eafbe2668bb1
Fortran
1,488
60
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
c5c908d26c3902dd4d2a69a653a3f2fdf74d9702c920ed1c67cd976cb0beec32
Fortran
1,496
38
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
5de58744e9660d357210c4988a68bbab90de2f11e948175e4f7386227fab81f6
Fortran
1,510
54
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
979e74e371f6e6880df626b636152668e38b428db02e25a83c08e381d6da4f09
Fortran
1,514
49
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
3c361fb5cf5f55c4768eac2f37a7b1268a1ca286ac26bd8f230c3541deb98dcb
Fortran
1,560
36
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
0558f1b1b2996b0d0135f3f2d342b9f084d78ef12f0d681bc52873d7be0e75a0
Fortran
1,583
39
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
e35589351522e9efe0ee6e425415c1fd8bacee8654fd5dc7955b1ec530b7b78b
Fortran
1,584
43
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
aaa4106f7f7b956521ededf15b10f19cfe71ae9f7d7845ebcacd8998a1eecc2d
Fortran
1,631
55
subroutine test_pbc_lancopt use xtb_mctc_accuracy, only : wp use assertion use xtb_type_molecule use model_phonons implicit none real(wp),parameter :: thr = 1.0e-9_wp integer, parameter :: nat = 6 integer, parameter :: at(nat) = [22,22, 8, 8, 8, 8] real(wp),parameter :: xyz(3,nat) = resha...
cd33727743d71fc9877e1cf8be66c96f803ecdf15a5181a992a19718b048f118
Fortran
1,664
52
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
945b7b0ab8cfa12c38fc3e2706e06acc685f01b16a7849a22a322be3fd536ba9
Fortran
1,677
56
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
f04f60708791a2fe8a5ea1d8b3361a9a029437324a4a114041419c6e0f9d19cd
Fortran
1,739
59
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
9e0140bc0997bac25b3b3fbfd68e8151c170b5744c9912f1fd13318bbae960d2
Fortran
1,764
40
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
4f914f430e1581f01e826682e96c33a6a9b7b91e07e4a3b35d2c1866ff880e36
Fortran
1,782
70
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
d007bcc78d41d83f209f002c242f34fc0dd2029897b671dde1de62597f22a1cf
Fortran
1,793
68
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
1e72c4921e6778b9016cd0809017df7b5a552e8a6bbb4f8ed673877a51931652
Fortran
1,844
66
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
540df0eb69af91be0f43c91c0fb6dfe62bb404c59ce6bb6b19d3f45df3b158d8
Fortran
1,849
70
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
3795b701d20d75ab34622a110e282db54d0ac3102934e2ee2a8a883394581a31
Fortran
1,854
60
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
57360d2462ff1e6993ddc17a85eabb394bf0467ef3593fe85edbf2aedf084fcd
Fortran
1,939
60
! This file is part of xtb. ! ! Copyright (C) 2017-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...
6866801c23a802e5ac21a5aac565a504d87f7739e9ef4b837670c3a2a370497a
Fortran
1,948
81
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version....
532fc283960e4ee050b1fe86ab0a322cd15d3de36da3406ef55f280dd2dfa2b7
Fortran
2,105
70
! This file is part of xtb. ! ! Copyright (C) 2021 Sebastian Ehlert ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ! ...
4a91ac96895eff77f8c3674b575ba58df8c34f1038c68cf39f5b3e10c79809bd
Fortran
2,189
71
! This file is part of xtb. ! ! Copyright (C) 2019-2020 Stefan Grimme ! ! xtb is free software: you can redistribute it and/or modify it under ! the terms of the GNU Lesser General Public License as published by ! the Free Software Foundation, either version 3 of the License, or ! (at your option) any later version. ! ...