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data-hovercard-url=\"/grimme-lab/xtb/pull/969/hovercard\" href=\"https://github.com/grimme-lab/xtb/pull/969\">#969</a>)"}},{"before":"69aead663710d66de8c4b1a13b6d4aa60d960fa2","after":"d7a364b353c1f845b22192e0ab505f1c74cea209","ref":"refs/heads/main","pushedAt":"2024-02-21T07:22:14.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"Albkat","name":"albert","path":"/Albkat","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/92109627?s=80&v=4"},"commit":{"message":"raman activities with adjustable wavelength and T (#967)\n\n* raman activities with adjustable wavelength and T\r\n\r\nSigned-off-by: benbaed <s6bebaed@uni-bonn.de>\r\n\r\n* add raman CLI opts in man page\r\n\r\nSigned-off-by: albert <92109627+Albkat@users.noreply.github.com>\r\n\r\n* Update set_module.f90\r\n\r\n* auto hess + small raman check\r\n\r\nSigned-off-by: albert <92109627+Albkat@users.noreply.github.com>\r\n\r\n---------\r\n\r\nSigned-off-by: benbaed <s6bebaed@uni-bonn.de>\r\nSigned-off-by: albert <92109627+Albkat@users.noreply.github.com>\r\nCo-authored-by: albert <92109627+Albkat@users.noreply.github.com>\r\nCo-authored-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>","shortMessageHtmlLink":"raman activities with adjustable wavelength and T (<a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2142661445\" data-permission-text=\"Title is private\" data-url=\"https://github.com/grimme-lab/xtb/issues/967\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/grimme-lab/xtb/pull/967/hovercard\" href=\"https://github.com/grimme-lab/xtb/pull/967\">#967</a>)"}},{"before":"e183f2bd066a506ceb39c3eb582f6acf35f2a8a0","after":"69aead663710d66de8c4b1a13b6d4aa60d960fa2","ref":"refs/heads/main","pushedAt":"2024-02-19T11:54:33.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"Albkat","name":"albert","path":"/Albkat","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/92109627?s=80&v=4"},"commit":{"message":"Sandwich Potential (#930)\n\n* sandwich potential somehow works for optimizations. next: it doesnt work for aISS.\r\n\r\n* sandwich pot somehow works for sp and opt but not MD or docking.\r\n\r\n* sandwich pot somehow works for sp and opt but not MD or docking. zwischenspeicherung.\r\n\r\n* sandwich pot works for MD but not for aISS.\r\n\r\n* sandwich pot works for MD and aISS (compiler problem with gcc/gfortran). Next: extend subroutine all to frag and list.\r\n\r\n* extended subroutine sandwich_all to frag and list; plus error handling.\r\n\r\n* updated xcontrol page by sandwich potential options\r\n\r\n* Update xcontrol.7.adoc\r\n\r\n* Delete subprojects/json-fortran-8.2.5.wrap\r\n\r\n* Clean up dev files.\r\n\r\nSigned-off-by: MtoLStoN <70513124+MtoLStoN@users.noreply.github.com>\r\n\r\n* Allow automated activation of cma for sandwich pot\r\n\r\nSigned-off-by: MtoLStoN <70513124+MtoLStoN@users.noreply.github.com>\r\n\r\n---------\r\n\r\nSigned-off-by: MtoLStoN <70513124+MtoLStoN@users.noreply.github.com>\r\nCo-authored-by: albert <92109627+Albkat@users.noreply.github.com>\r\nCo-authored-by: MtoLStoN <70513124+MtoLStoN@users.noreply.github.com>","shortMessageHtmlLink":"Sandwich Potential (<a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2037747567\" data-permission-text=\"Title is private\" data-url=\"https://github.com/grimme-lab/xtb/issues/930\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/grimme-lab/xtb/pull/930/hovercard\" href=\"https://github.com/grimme-lab/xtb/pull/930\">#930</a>)"}},{"before":"a25545c37c87441b8b54750ddcb22d8ba664d539","after":"e183f2bd066a506ceb39c3eb582f6acf35f2a8a0","ref":"refs/heads/main","pushedAt":"2024-02-16T17:06:28.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"marcelmbn","name":"Marcel Mueller","path":"/marcelmbn","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/63649718?s=80&v=4"},"commit":{"message":"REVISED: Implementation of the density tight-binding (PTB) method (#963)\n\n* initial PTB files and directories\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* add citation and initial variables for parameter files\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* reformat code of main.F90 via fprettify\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* prepared technical environment for setup of PTB parameters and calculator\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* removed last xtb parts in PTB files, adapted to missing parameter file\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* initial inclusion of PTB parameters\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* prepared vDZP basis setup\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* coefficients and exponents of vDZP initialized\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* full relevant vDZP data included; only incorporation into tblite basis type required now\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* pre-processing options activated\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* add vDZP basis set in principle completed\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* correct errors in vDZP setup and remove deprecated code\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* overlap corresponds to PTB overlap\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* move overlaps with scaled exponents in separate subroutines, agreement with scaled HO overlap from ptb\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* all three overlap matrices present and correct; start for ML-pop analysis implementation\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* correct formatting for overlaps routine\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* format some files correctly\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Mixed Mulliken/Loewdin population analyses overlap matrices\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Clean up calculator module use, implement coordination numbers\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Include EEQ model and corresponding parameters\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* initial PTB tests, code formatting and float type assignments for DIPRO and CPX\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* added tests for EEQ, basis and ML-pop scheme; added molecule to molstock; correct formattings.\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Initial implementation of PTB core basis\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Core valence overlap matrix finalized; better structure type translation\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Started implementation of V_ECP\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Vecp working, no tests yet\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* V_ECP test working, commented print statements out\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* V_ECP fully implemented, removed DEV print statements\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* preparation for modularization of parameter data\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Finalized modularization of ECP parameters\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Modularize EEQ parameters and remove not required public parameters\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* initialize wavefunction and rename core_basis function\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* initial steps for Hamiltonian setup for PTB\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* self-energy parameterization complete and self-energies matching\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* completed self-energy and added test\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* remove wrong Vecp allocation\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* prepare H0 setup and remove unnecessary variables in tests\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* early implementation of H0, removal of highest_elem variable, move vDZP globals to vDZP module\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* final H0 implementation for off-center terms\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* H0 implementation complete\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* EEQ charges for initial shell population, removal of unnecessary data statements\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* prepared h0 unit test\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Implement Pauli XC contribution\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* add Vxc test; moved some parameters to data types, deallocate H0\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* new formatting guidelines\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* refactored integrals in general and specifically overlap handling and prepared potential add-on to H0\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* prepared potential for adding density-dependent terms\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Include Hubbard parameter and corresponding test\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* prepared Hubbard parameter, coulomb matrix and potential setup\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* effective gamma shellwise and modified test\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* tests for Hubbard matrix\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Coulomb matrix implemented\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Coulomb potential added onto effective Hamiltonian together with charges complete\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* third-order electrostatics included; H matrix for first iteration fully complete and correct; TESTS missing\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* H0 test included\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* removed dummy routine for hamiltonian and refer directly to H0 (now get_hamiltonian)\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* put overlap routine in own fast and parallel routine instead of standard tblite call\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* included dipole integrals in a fast way and renamed everything from overlap to integrals and neglect '_scaled'\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* integrated test for Coulomb potential and renamed integral module; minor changes\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Solve and get density after 1st iteration\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* parallelization for get_hamiltonian; removed useless variables\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* parallelize coulomb potential\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* shell populations and charges after first iteration\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* transformed basis set from id-specific to atom-specific to setup overlap_h0 ('S^S') for second iteration\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* H0, VECP and VXC in second iteration\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Coulomb potential in second and third order implemented also for second iteration\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* self energies of +U matrix working\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Interatomic damping matrix for +U contribution\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* final H mat complete, +U potential complete\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* add potentials directly onto wfn%coeff\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* final density matrix correct, epsilon scaling implemented\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* shell pops and atomic charges correct\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* correct error in +U potential, better dev printout, correct error in dipole integral calculation, removed unnecessary prints\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Dipole moment working\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Wiberg bond orders working and parts of printout implemented\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Basic printout complete.\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Electric field implemented and better printout\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* total charge printout\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* started response implementation\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* correct ifort error since naming of subroutine and module cannot be the same\r\n\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* H0 of response one-scf complete\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* shift calculation of elements to shell level and not re-do it in every AO iteration\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Pauli XC and ES potential in onescf working (TO-part of ES not tested yet)\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* final H matrix of onescf complete\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* removal of unnecessary code trash\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* electric field addition also working\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* dipole moment after perturbation correct\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* polarizability fully working with printout\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* better error management, removal of unnecessary printouts, better print-out\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* extend moments to quadrupole moments. CAUTION: No analog in ref. implementation, so no direct check possible. Correct print-out missing.\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Quadrupole tensor output\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* remove old xtb code snippets\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* test for +U potential and removed unnecessary printouts\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* test of final PTB results (qat, psh, wbo)\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* add test for charged species\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* included some more tests\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* modified finite-field-step for alpha to make it more robust in presence of an external field\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* polarizability test included\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* remove old code snippets\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* refactored electric property setup, calculator without mol. struc., initial IR implementation\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* completed Raman and IR implementation for PTB\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* reformat convert.f90\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* implement actual Raman intensities\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* restructure vibspectrum printout\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* correct typo in intensity calculation\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* reformat freq io.90\r\n\r\nSigned-off-by: Marcel Müller 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<marcel.mueller@thch.uni-bonn.de>\r\n\r\n* reformat indentations\r\n\r\nSigned-off-by: albert <92109627+Albkat@users.noreply.github.com>\r\n\r\n* small changes\r\n\r\nSigned-off-by: albert <92109627+Albkat@users.noreply.github.com>\r\n\r\n* resolved last merge conflicts with periodic GFN-FF\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* reformat files consistent to formatting in main\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* preprocessor free main\r\n\r\nSigned-off-by: albert <92109627+Albkat@users.noreply.github.com>\r\nSigned-off-by: Albert Katbashev <akatbashev@gmail.com>\r\n\r\n* update man-page and usage instructions\r\n\r\n* unify efield for PTB and GFN-FF\r\n\r\nSigned-off-by: albert <92109627+Albkat@users.noreply.github.com>\r\n\r\n* remove the hardcoded etemp for xtb and ptb calc\r\n\r\nSigned-off-by: albert <92109627+Albkat@users.noreply.github.com>\r\n\r\n* make the presence of param_ptb.txt non-critical\r\n\r\nSigned-off-by: albert <92109627+Albkat@users.noreply.github.com>\r\n\r\n* update help and man pages for ptb- and Raman/polarizability-related options\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n* Update src/prog/main.F90\r\n\r\n* Update src/prog/main.F90\r\n\r\n* Update src/prog/main.F90\r\n\r\n* add debug mode for dev write statements\r\n\r\nSigned-off-by: albert <92109627+Albkat@users.noreply.github.com>\r\n\r\n* remove parameters from shared variables in OMP statement\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\n\r\n---------\r\n\r\nSigned-off-by: Marcel Müller <marcel.mueller@thch.uni-bonn.de>\r\nSigned-off-by: Marcel Mueller <marcel.mueller@thch.uni-bonn.de>\r\nSigned-off-by: albert <92109627+Albkat@users.noreply.github.com>\r\nSigned-off-by: Albert Katbashev <akatbashev@gmail.com>\r\nCo-authored-by: albert <92109627+Albkat@users.noreply.github.com>\r\nCo-authored-by: Albert Katbashev 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