From 229b26a3ca201c0795493600859aa8d7f59cd012 Mon Sep 17 00:00:00 2001 From: jenswehner Date: Tue, 27 Jul 2021 20:35:09 +0200 Subject: [PATCH 1/5] made the choice of sigma a factory --- include/votca/xtp/sigmafactory.h | 54 +++++++++++++++++++ src/libxtp/factories/sigmafactory.cc | 38 +++++++++++++ src/libxtp/gwbse/gw.cc | 13 ++--- .../sigma_cda.cc | 4 +- .../self_energy_evaluators}/sigma_cda.h | 0 .../sigma_exact.cc | 2 +- .../self_energy_evaluators}/sigma_exact.h | 4 +- .../sigma_ppm.cc | 2 +- .../self_energy_evaluators}/sigma_ppm.h | 4 +- src/tests/test_sigma_cda.cc | 18 ++++--- src/tests/test_sigma_exact.cc | 18 ++++--- src/tests/test_sigma_ppm.cc | 18 ++++--- 12 files changed, 133 insertions(+), 42 deletions(-) create mode 100644 include/votca/xtp/sigmafactory.h create mode 100644 src/libxtp/factories/sigmafactory.cc rename src/libxtp/{gwbse => self_energy_evaluators}/sigma_cda.cc (98%) rename {include/votca/xtp => src/libxtp/self_energy_evaluators}/sigma_cda.h (100%) rename src/libxtp/{gwbse => self_energy_evaluators}/sigma_exact.cc (99%) rename {include/votca/xtp => src/libxtp/self_energy_evaluators}/sigma_exact.h (96%) rename src/libxtp/{gwbse => self_energy_evaluators}/sigma_ppm.cc (99%) rename {include/votca/xtp => src/libxtp/self_energy_evaluators}/sigma_ppm.h (96%) diff --git a/include/votca/xtp/sigmafactory.h b/include/votca/xtp/sigmafactory.h new file mode 100644 index 0000000000..cde9718986 --- /dev/null +++ b/include/votca/xtp/sigmafactory.h @@ -0,0 +1,54 @@ +/* + * Copyright 2009-2020 The VOTCA Development Team + * (http://www.votca.org) + * + * 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 applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + */ + +#pragma once + +#ifndef VOTCA_XTP_SIGMAFACTORY_H +#define VOTCA_XTP_SIGMAFACTORY_H + +// VOTCA includes +#include + +// Local VOTCA includes +#include "sigma_base.h" +#include "votca/xtp/rpa.h" +#include "votca/xtp/threecenter.h" + +namespace votca { +namespace xtp { + +class SigmaFactory + : public tools::ObjectFactory { + private: + SigmaFactory() = default; + + public: + static void RegisterAll(void); + friend SigmaFactory &Sigma(); +}; + +inline SigmaFactory &Sigma() { + static SigmaFactory instance_; + return instance_; +} + +} // namespace xtp +} // namespace votca + +#endif // VOTCA_XTP_SIGMAFACTORY_H diff --git a/src/libxtp/factories/sigmafactory.cc b/src/libxtp/factories/sigmafactory.cc new file mode 100644 index 0000000000..cbbb48565d --- /dev/null +++ b/src/libxtp/factories/sigmafactory.cc @@ -0,0 +1,38 @@ + +/* + * Copyright 2009-2020 The VOTCA Development Team + * (http://www.votca.org) + * + * 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 applicable law or agreed to in writing, software + * distributed under the License is distributed on an "AS IS" BASIS, + * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + * See the License for the specific language governing permissions and + * limitations under the License. + * + */ + +// Local VOTCA includes +#include + +// Local private VOTCA includes +#include "self_energy_evaluators/sigma_cda.h" +#include "self_energy_evaluators/sigma_ppm.h" +#include "self_energy_evaluators/sigma_exact.h" + +namespace votca { +namespace xtp { + +void SigmaFactory::RegisterAll(void) { + Sigma().Register("cda"); + Sigma().Register("exact"); + Sigma().Register("ppm"); +} +} // namespace xtp +} // namespace votca diff --git a/src/libxtp/gwbse/gw.cc b/src/libxtp/gwbse/gw.cc index 689bfdf508..475dc2304b 100644 --- a/src/libxtp/gwbse/gw.cc +++ b/src/libxtp/gwbse/gw.cc @@ -27,24 +27,17 @@ #include "votca/xtp/gw.h" #include "votca/xtp/newton_rapson.h" #include "votca/xtp/rpa.h" -#include "votca/xtp/sigma_cda.h" -#include "votca/xtp/sigma_exact.h" -#include "votca/xtp/sigma_ppm.h" +#include "votca/xtp/sigmafactory.h" namespace votca { namespace xtp { void GW::configure(const options& opt) { + Sigma().RegisterAll(); opt_ = opt; qptotal_ = opt_.qpmax - opt_.qpmin + 1; rpa_.configure(opt_.homo, opt_.rpamin, opt_.rpamax); - if (opt_.sigma_integration == "exact") { - sigma_ = std::make_unique(Mmn_, rpa_); - } else if (opt_.sigma_integration == "cda") { - sigma_ = std::make_unique(Mmn_, rpa_); - } else if (opt_.sigma_integration == "ppm") { - sigma_ = std::make_unique(Mmn_, rpa_); - } + sigma_=Sigma().Create(opt_.sigma_integration,Mmn_,rpa_); Sigma_base::options sigma_opt; sigma_opt.homo = opt_.homo; sigma_opt.qpmax = opt_.qpmax; diff --git a/src/libxtp/gwbse/sigma_cda.cc b/src/libxtp/self_energy_evaluators/sigma_cda.cc similarity index 98% rename from src/libxtp/gwbse/sigma_cda.cc rename to src/libxtp/self_energy_evaluators/sigma_cda.cc index fbb42eac7e..4d1541b4e7 100644 --- a/src/libxtp/gwbse/sigma_cda.cc +++ b/src/libxtp/self_energy_evaluators/sigma_cda.cc @@ -18,8 +18,8 @@ */ #include -#include -#include +#include "votca/xtp/gw.h" +#include "sigma_cda.h" namespace votca { namespace xtp { diff --git a/include/votca/xtp/sigma_cda.h b/src/libxtp/self_energy_evaluators/sigma_cda.h similarity index 100% rename from include/votca/xtp/sigma_cda.h rename to src/libxtp/self_energy_evaluators/sigma_cda.h diff --git a/src/libxtp/gwbse/sigma_exact.cc b/src/libxtp/self_energy_evaluators/sigma_exact.cc similarity index 99% rename from src/libxtp/gwbse/sigma_exact.cc rename to src/libxtp/self_energy_evaluators/sigma_exact.cc index f44940debb..b92e8683a5 100644 --- a/src/libxtp/gwbse/sigma_exact.cc +++ b/src/libxtp/self_energy_evaluators/sigma_exact.cc @@ -18,7 +18,7 @@ */ // Local VOTCA includes -#include "votca/xtp/sigma_exact.h" +#include "sigma_exact.h" #include "votca/xtp/rpa.h" #include "votca/xtp/threecenter.h" #include "votca/xtp/vc2index.h" diff --git a/include/votca/xtp/sigma_exact.h b/src/libxtp/self_energy_evaluators/sigma_exact.h similarity index 96% rename from include/votca/xtp/sigma_exact.h rename to src/libxtp/self_energy_evaluators/sigma_exact.h index 636d4f9388..fbfc55f7b0 100644 --- a/include/votca/xtp/sigma_exact.h +++ b/src/libxtp/self_energy_evaluators/sigma_exact.h @@ -21,8 +21,8 @@ #define VOTCA_XTP_SIGMA_EXACT_H // Local VOTCA includes -#include "rpa.h" -#include "sigma_base.h" +#include "votca/xtp/rpa.h" +#include "votca/xtp/sigma_base.h" namespace votca { namespace xtp { diff --git a/src/libxtp/gwbse/sigma_ppm.cc b/src/libxtp/self_energy_evaluators/sigma_ppm.cc similarity index 99% rename from src/libxtp/gwbse/sigma_ppm.cc rename to src/libxtp/self_energy_evaluators/sigma_ppm.cc index 679cbc82dd..a247c3eafa 100644 --- a/src/libxtp/gwbse/sigma_ppm.cc +++ b/src/libxtp/self_energy_evaluators/sigma_ppm.cc @@ -23,7 +23,7 @@ // Local VOTCA includes #include "votca/xtp/ppm.h" -#include "votca/xtp/sigma_ppm.h" +#include "sigma_ppm.h" #include "votca/xtp/threecenter.h" namespace votca { diff --git a/include/votca/xtp/sigma_ppm.h b/src/libxtp/self_energy_evaluators/sigma_ppm.h similarity index 96% rename from include/votca/xtp/sigma_ppm.h rename to src/libxtp/self_energy_evaluators/sigma_ppm.h index 4b621a0614..56c72e8a94 100644 --- a/include/votca/xtp/sigma_ppm.h +++ b/src/libxtp/self_energy_evaluators/sigma_ppm.h @@ -22,8 +22,8 @@ #define VOTCA_XTP_SIGMA_PPM_H // Local VOTCA includes -#include "ppm.h" -#include "sigma_base.h" +#include "votca/xtp/ppm.h" +#include "votca/xtp/sigma_base.h" namespace votca { namespace xtp { diff --git a/src/tests/test_sigma_cda.cc b/src/tests/test_sigma_cda.cc index 04c41f482a..11b70f1749 100644 --- a/src/tests/test_sigma_cda.cc +++ b/src/tests/test_sigma_cda.cc @@ -13,6 +13,7 @@ * limitations under the License. * */ +#include "votca/xtp/sigma_base.h" #define BOOST_TEST_MAIN #define BOOST_TEST_MODULE sigma_test @@ -30,7 +31,7 @@ #include #include #include -#include +#include #include using namespace votca::xtp; using namespace std; @@ -65,8 +66,9 @@ BOOST_AUTO_TEST_CASE(sigma_full) { rpa.setRPAInputEnergies(mo_energy); rpa.configure(4, 0, 16); - Sigma_CDA sigma(Mmn, rpa); - Sigma_CDA::options opt; + Sigma().RegisterAll(); + std::unique_ptr sigma = Sigma().Create("cda", Mmn, rpa); + Sigma_base::options opt; opt.homo = 4; opt.qpmin = 0; opt.qpmax = 16; @@ -75,9 +77,9 @@ BOOST_AUTO_TEST_CASE(sigma_full) { opt.quadrature_scheme = "legendre"; opt.order = 100; opt.alpha = 1e-3; - sigma.configure(opt); + sigma->configure(opt); - Eigen::MatrixXd x = sigma.CalcExchangeMatrix(); + Eigen::MatrixXd x = sigma->CalcExchangeMatrix(); Eigen::MatrixXd x_ref = votca::tools::EigenIO_MatrixMarket::ReadMatrix( std::string(XTP_TEST_DATA_FOLDER) + "/sigma_cda/x_ref.mm"); @@ -90,9 +92,9 @@ BOOST_AUTO_TEST_CASE(sigma_full) { cout << x_ref << endl; } BOOST_CHECK_EQUAL(check_x, true); - sigma.PrepareScreening(); - Eigen::MatrixXd c = sigma.CalcCorrelationOffDiag(mo_energy); - c.diagonal() = sigma.CalcCorrelationDiag(mo_energy); + sigma->PrepareScreening(); + Eigen::MatrixXd c = sigma->CalcCorrelationOffDiag(mo_energy); + c.diagonal() = sigma->CalcCorrelationDiag(mo_energy); Eigen::MatrixXd c_ref_diag = votca::tools::EigenIO_MatrixMarket::ReadMatrix( std::string(XTP_TEST_DATA_FOLDER) + "/sigma_cda/c_ref.mm"); diff --git a/src/tests/test_sigma_exact.cc b/src/tests/test_sigma_exact.cc index f2e0e15ddf..0afc9dda91 100644 --- a/src/tests/test_sigma_exact.cc +++ b/src/tests/test_sigma_exact.cc @@ -13,6 +13,7 @@ * limitations under the License. * */ +#include "votca/xtp/sigma_base.h" #include #define BOOST_TEST_MAIN @@ -31,7 +32,7 @@ #include "votca/xtp/aobasis.h" #include "votca/xtp/orbitals.h" #include "votca/xtp/rpa.h" -#include "votca/xtp/sigma_exact.h" +#include "votca/xtp/sigmafactory.h" #include "votca/xtp/threecenter.h" using namespace votca::xtp; @@ -66,18 +67,19 @@ BOOST_AUTO_TEST_CASE(sigma_full) { RPA rpa(log, Mmn); rpa.setRPAInputEnergies(mo_energy); rpa.configure(4, 0, 16); + Sigma().RegisterAll(); + std::unique_ptr sigma = Sigma().Create("exact", Mmn, rpa); - Sigma_Exact sigma = Sigma_Exact(Mmn, rpa); - Sigma_Exact::options opt; + Sigma_base::options opt; opt.homo = 4; opt.qpmin = 0; opt.qpmax = 16; opt.rpamin = 0; opt.rpamax = 16; opt.eta = 1e-3; - sigma.configure(opt); + sigma->configure(opt); - Eigen::MatrixXd x = sigma.CalcExchangeMatrix(); + Eigen::MatrixXd x = sigma->CalcExchangeMatrix(); Eigen::MatrixXd x_ref = votca::tools::EigenIO_MatrixMarket::ReadMatrix( std::string(XTP_TEST_DATA_FOLDER) + "/sigma_exact/x_ref.mm"); @@ -91,9 +93,9 @@ BOOST_AUTO_TEST_CASE(sigma_full) { } BOOST_CHECK_EQUAL(check_x, true); - sigma.PrepareScreening(); - Eigen::MatrixXd c = sigma.CalcCorrelationOffDiag(mo_energy); - c.diagonal() = sigma.CalcCorrelationDiag(mo_energy); + sigma->PrepareScreening(); + Eigen::MatrixXd c = sigma->CalcCorrelationOffDiag(mo_energy); + c.diagonal() = sigma->CalcCorrelationDiag(mo_energy); Eigen::MatrixXd c_ref = votca::tools::EigenIO_MatrixMarket::ReadMatrix( std::string(XTP_TEST_DATA_FOLDER) + "/sigma_exact/c_ref.mm"); diff --git a/src/tests/test_sigma_ppm.cc b/src/tests/test_sigma_ppm.cc index 06ec7c5dc8..e8fd715efa 100644 --- a/src/tests/test_sigma_ppm.cc +++ b/src/tests/test_sigma_ppm.cc @@ -13,6 +13,7 @@ * limitations under the License. * */ +#include "votca/xtp/sigma_base.h" #define BOOST_TEST_MAIN #define BOOST_TEST_MODULE sigma_test @@ -32,7 +33,7 @@ #include "votca/xtp/orbitals.h" #include "votca/xtp/ppm.h" #include "votca/xtp/rpa.h" -#include "votca/xtp/sigma_ppm.h" +#include "votca/xtp/sigmafactory.h" #include "votca/xtp/threecenter.h" #include using namespace votca::xtp; @@ -67,18 +68,19 @@ BOOST_AUTO_TEST_CASE(sigma_full) { rpa.configure(4, 0, 16); rpa.setRPAInputEnergies(mo_energy); - Sigma_PPM sigma = Sigma_PPM(Mmn, rpa); + Sigma().RegisterAll(); + std::unique_ptr sigma = Sigma().Create("ppm", Mmn, rpa); - Sigma_PPM::options opt; + Sigma_base::options opt; opt.homo = 4; opt.qpmin = 0; opt.qpmax = 16; opt.rpamin = 0; opt.rpamax = 16; opt.eta = 1e-3; - sigma.configure(opt); + sigma->configure(opt); - Eigen::MatrixXd x = sigma.CalcExchangeMatrix(); + Eigen::MatrixXd x = sigma->CalcExchangeMatrix(); Eigen::MatrixXd x_ref = votca::tools::EigenIO_MatrixMarket::ReadMatrix( std::string(XTP_TEST_DATA_FOLDER) + "/sigma_ppm/x_ref.mm"); @@ -92,9 +94,9 @@ BOOST_AUTO_TEST_CASE(sigma_full) { } BOOST_CHECK_EQUAL(check_x, true); - sigma.PrepareScreening(); - Eigen::MatrixXd c = sigma.CalcCorrelationOffDiag(mo_energy); - c.diagonal() = sigma.CalcCorrelationDiag(mo_energy); + sigma->PrepareScreening(); + Eigen::MatrixXd c = sigma->CalcCorrelationOffDiag(mo_energy); + c.diagonal() = sigma->CalcCorrelationDiag(mo_energy); Eigen::MatrixXd c_ref = votca::tools::EigenIO_MatrixMarket::ReadMatrix( std::string(XTP_TEST_DATA_FOLDER) + "/sigma_ppm/c_ref.mm"); From 5c62184210e83f8fcc3bcee52a7ff3b5273f365d Mon Sep 17 00:00:00 2001 From: jenswehner Date: Wed, 28 Jul 2021 15:10:58 +0200 Subject: [PATCH 2/5] format --- include/votca/xtp/sigmafactory.h | 4 ++-- src/libxtp/factories/sigmafactory.cc | 2 +- src/libxtp/gwbse/gw.cc | 2 +- src/libxtp/self_energy_evaluators/sigma_cda.cc | 4 ++-- src/libxtp/self_energy_evaluators/sigma_ppm.cc | 2 +- 5 files changed, 7 insertions(+), 7 deletions(-) diff --git a/include/votca/xtp/sigmafactory.h b/include/votca/xtp/sigmafactory.h index cde9718986..9fe94bea7d 100644 --- a/include/votca/xtp/sigmafactory.h +++ b/include/votca/xtp/sigmafactory.h @@ -33,8 +33,8 @@ namespace votca { namespace xtp { -class SigmaFactory - : public tools::ObjectFactory { +class SigmaFactory : public tools::ObjectFactory { private: SigmaFactory() = default; diff --git a/src/libxtp/factories/sigmafactory.cc b/src/libxtp/factories/sigmafactory.cc index cbbb48565d..ed0231260a 100644 --- a/src/libxtp/factories/sigmafactory.cc +++ b/src/libxtp/factories/sigmafactory.cc @@ -23,8 +23,8 @@ // Local private VOTCA includes #include "self_energy_evaluators/sigma_cda.h" -#include "self_energy_evaluators/sigma_ppm.h" #include "self_energy_evaluators/sigma_exact.h" +#include "self_energy_evaluators/sigma_ppm.h" namespace votca { namespace xtp { diff --git a/src/libxtp/gwbse/gw.cc b/src/libxtp/gwbse/gw.cc index 475dc2304b..295978beb2 100644 --- a/src/libxtp/gwbse/gw.cc +++ b/src/libxtp/gwbse/gw.cc @@ -37,7 +37,7 @@ void GW::configure(const options& opt) { opt_ = opt; qptotal_ = opt_.qpmax - opt_.qpmin + 1; rpa_.configure(opt_.homo, opt_.rpamin, opt_.rpamax); - sigma_=Sigma().Create(opt_.sigma_integration,Mmn_,rpa_); + sigma_ = Sigma().Create(opt_.sigma_integration, Mmn_, rpa_); Sigma_base::options sigma_opt; sigma_opt.homo = opt_.homo; sigma_opt.qpmax = opt_.qpmax; diff --git a/src/libxtp/self_energy_evaluators/sigma_cda.cc b/src/libxtp/self_energy_evaluators/sigma_cda.cc index 4d1541b4e7..faffd7f9d0 100644 --- a/src/libxtp/self_energy_evaluators/sigma_cda.cc +++ b/src/libxtp/self_energy_evaluators/sigma_cda.cc @@ -17,9 +17,9 @@ * */ -#include -#include "votca/xtp/gw.h" #include "sigma_cda.h" +#include "votca/xtp/gw.h" +#include namespace votca { namespace xtp { diff --git a/src/libxtp/self_energy_evaluators/sigma_ppm.cc b/src/libxtp/self_energy_evaluators/sigma_ppm.cc index a247c3eafa..2743896279 100644 --- a/src/libxtp/self_energy_evaluators/sigma_ppm.cc +++ b/src/libxtp/self_energy_evaluators/sigma_ppm.cc @@ -22,8 +22,8 @@ #include // Local VOTCA includes -#include "votca/xtp/ppm.h" #include "sigma_ppm.h" +#include "votca/xtp/ppm.h" #include "votca/xtp/threecenter.h" namespace votca { From 92cc79ad9b21dbc76d38047538f1b5363ba06351 Mon Sep 17 00:00:00 2001 From: jenswehner Date: Thu, 29 Jul 2021 14:32:16 +0200 Subject: [PATCH 3/5] added changelog entry --- CHANGELOG.rst | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.rst b/CHANGELOG.rst index c911834c06..c1e4eb2ad8 100644 --- a/CHANGELOG.rst +++ b/CHANGELOG.rst @@ -47,6 +47,7 @@ Version 2022-dev - overhaul complete option handling (#704) - Fixed exciton options checking (#726) - added basis gpu runner and test to suite (#725) +- turned sigma choice into a factory () Version 2021.2 (released XX.07.21) ================================== From eed22052bdd6466c115e391d1d7ca0e36735d52d Mon Sep 17 00:00:00 2001 From: jenswehner Date: Thu, 29 Jul 2021 14:32:47 +0200 Subject: [PATCH 4/5] added PR number --- CHANGELOG.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.rst b/CHANGELOG.rst index c1e4eb2ad8..cff507abd2 100644 --- a/CHANGELOG.rst +++ b/CHANGELOG.rst @@ -47,7 +47,7 @@ Version 2022-dev - overhaul complete option handling (#704) - Fixed exciton options checking (#726) - added basis gpu runner and test to suite (#725) -- turned sigma choice into a factory () +- turned sigma choice into a factory (#731) Version 2021.2 (released XX.07.21) ================================== From b105421e7922b07e4f7e5ac44dd7fb995303727b Mon Sep 17 00:00:00 2001 From: Votca Bot Date: Thu, 29 Jul 2021 19:44:14 +0000 Subject: [PATCH 5/5] Update copyright --- include/votca/xtp/sigmafactory.h | 2 +- src/libxtp/factories/sigmafactory.cc | 2 +- src/libxtp/gwbse/gw.cc | 2 +- src/tests/test_sigma_cda.cc | 2 +- src/tests/test_sigma_exact.cc | 2 +- src/tests/test_sigma_ppm.cc | 2 +- 6 files changed, 6 insertions(+), 6 deletions(-) diff --git a/include/votca/xtp/sigmafactory.h b/include/votca/xtp/sigmafactory.h index 9fe94bea7d..c64dee25ec 100644 --- a/include/votca/xtp/sigmafactory.h +++ b/include/votca/xtp/sigmafactory.h @@ -1,5 +1,5 @@ /* - * Copyright 2009-2020 The VOTCA Development Team + * Copyright 2009-2021 The VOTCA Development Team * (http://www.votca.org) * * Licensed under the Apache License, Version 2.0 (the "License") diff --git a/src/libxtp/factories/sigmafactory.cc b/src/libxtp/factories/sigmafactory.cc index ed0231260a..93c9fa378d 100644 --- a/src/libxtp/factories/sigmafactory.cc +++ b/src/libxtp/factories/sigmafactory.cc @@ -1,6 +1,6 @@ /* - * Copyright 2009-2020 The VOTCA Development Team + * Copyright 2009-2021 The VOTCA Development Team * (http://www.votca.org) * * Licensed under the Apache License, Version 2.0 (the "License") diff --git a/src/libxtp/gwbse/gw.cc b/src/libxtp/gwbse/gw.cc index 295978beb2..adcac45c62 100644 --- a/src/libxtp/gwbse/gw.cc +++ b/src/libxtp/gwbse/gw.cc @@ -1,5 +1,5 @@ /* - * Copyright 2009-2020 The VOTCA Development Team + * Copyright 2009-2021 The VOTCA Development Team * (http://www.votca.org) * * Licensed under the Apache License, Version 2.0 (the "License") diff --git a/src/tests/test_sigma_cda.cc b/src/tests/test_sigma_cda.cc index 11b70f1749..bfbe9d9d4e 100644 --- a/src/tests/test_sigma_cda.cc +++ b/src/tests/test_sigma_cda.cc @@ -1,5 +1,5 @@ /* - * Copyright 2009-2020 The VOTCA Development Team (http://www.votca.org) + * Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org) * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. diff --git a/src/tests/test_sigma_exact.cc b/src/tests/test_sigma_exact.cc index 0afc9dda91..34cca48e83 100644 --- a/src/tests/test_sigma_exact.cc +++ b/src/tests/test_sigma_exact.cc @@ -1,5 +1,5 @@ /* - * Copyright 2009-2020 The VOTCA Development Team (http://www.votca.org) + * Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org) * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. diff --git a/src/tests/test_sigma_ppm.cc b/src/tests/test_sigma_ppm.cc index e8fd715efa..3c7af3c9a3 100644 --- a/src/tests/test_sigma_ppm.cc +++ b/src/tests/test_sigma_ppm.cc @@ -1,5 +1,5 @@ /* - * Copyright 2009-2020 The VOTCA Development Team (http://www.votca.org) + * Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org) * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License.