debian/0000775000000000000000000000000012615473346007203 5ustar debian/source/0000775000000000000000000000000012572027564010502 5ustar debian/source/format0000664000000000000000000000001412572027564011710 0ustar 3.0 (quilt) debian/chemps2.install0000664000000000000000000000002012572027564012123 0ustar usr/bin/chemps2 debian/chemps2-doc.doc-base0000664000000000000000000000043212572027564012704 0ustar Document: libchemps2-doc Title: Manual for libchemps2 Author: Sebastian Wouters Abstract: This manual describes libchemps2, the API, and best practices. Section: File Management Format: HTML Index: /usr/share/doc/libchemps2/html/index.html Files: /usr/share/doc/libchemps2/html/* debian/libchemps2-dev.install0000664000000000000000000000006112572027564013373 0ustar usr/include/* usr/lib/*/lib*.a usr/lib/*/lib*.so debian/compat0000664000000000000000000000000212572027564010400 0ustar 9 debian/control0000664000000000000000000001557612572027564010623 0ustar Source: chemps2 Section: libs Priority: optional Maintainer: Debichem Team Uploaders: Sebastian Wouters , Michael Banck Build-Depends: debhelper (>= 9), cmake (>= 2.8.11), libatlas-base-dev, libgsl0-dev, libhdf5-dev, dh-python, python-all (>= 2.7), python-setuptools, python-docutils, python-sphinx (>= 1.1), cython (>= 0.19), python-numpy, libpython-dev, libjs-mathjax, libjs-jquery, libjs-underscore Standards-Version: 3.9.6 Homepage: http://sebwouters.github.io/CheMPS2/index.html Vcs-Git: git://anonscm.debian.org/debichem/packages/chemps2.git Vcs-Browser: http://anonscm.debian.org/cgit/debichem/packages/chemps2.git Package: libchemps2-1 Architecture: any Depends: ${shlibs:Depends}, ${misc:Depends} Suggests: chemps2-doc Description: Spin-adapted DMRG for ab initio quantum chemistry chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI): up to 40 electrons in 40 orbitals for general active spaces; and up to 100 electrons in 100 orbitals for one-dimensional active spaces, such as the pi-system of all-trans polyenes. . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This version of chemps2 is parallelized for shared memory architectures with OpenMP. Package: libchemps2-dev Section: libdevel Architecture: any Depends: ${shlibs:Depends}, ${misc:Depends}, libchemps2-1 (= ${binary:Version}) Suggests: chemps2-doc Description: C++ headers, static library, and symlink for libchemps2-1 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI). . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This package installs the C++ headers, static library, and symlink for libchemps2. Package: chemps2-doc Section: doc Architecture: all Depends: ${sphinxdoc:Depends}, ${misc:Depends} Description: Documentation of the libchemps2-1 package chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI). . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This is the common documentation package. Package: chemps2 Section: science Architecture: any Depends: ${shlibs:Depends}, ${misc:Depends}, libchemps2-1 (= ${binary:Version}) Suggests: chemps2-doc Description: Executable to call libchemps2-1 from the command line chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI). . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This package installs the executable which parses Hamiltonians in fcidump format, performs DMRG sweeps according to a user-defined convergence scheme, and writes the 2-RDM as output. Package: python-chemps2 Section: python Architecture: any Depends: ${python:Depends}, ${shlibs:Depends}, ${misc:Depends}, libchemps2-1 (= ${binary:Version}) Suggests: chemps2-doc Description: Python 2 interface for libchemps2-1 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI). . For an input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the second order reduced density matrix (2-RDM) of the active space. With the latter, various molecular properties can be calculated, as well as the gradient and Hessian for orbital rotations or nuclear displacements. In addition, several correlation functions can be obtained to investigate the electronic structure in the active space. . This package installs the library for Python 2. debian/watch0000664000000000000000000000013012572027564010225 0ustar version=3 https://github.com/SebWouters/CheMPS2/releases .*/archive/v([\d.]+)\.tar\.gz debian/chemps2-doc.links0000664000000000000000000000010412572027564012343 0ustar usr/share/doc/libchemps2/html/_sources usr/share/doc/libchemps2/rst debian/libchemps2-1.install0000664000000000000000000000002412572027564012754 0ustar usr/lib/*/lib*.so.* debian/changelog0000664000000000000000000000252212615473346011056 0ustar chemps2 (1.6-1build1~ubuntu14.04.1) trusty-backports; urgency=medium * No-change backport to trusty (LP: #1493843) -- Micah Gersten Sun, 01 Nov 2015 14:32:38 -0600 chemps2 (1.6-1build1) wily; urgency=medium * No-change rebuild for hdf5 soname change. -- Matthias Klose Tue, 06 Oct 2015 12:21:37 +0000 chemps2 (1.6-1) unstable; urgency=low * Upstream release v1.6 * debian/control: Standards-Version 3.9.6 * Package: chemps2 (executable) * Fix lintian warnings jquery.js and underscore.js * Fix watch file (Closes: #795789) * Update libchemps2-1.symbols for cxx11 (new symbols v1.6) -- Sebastian Wouters Fri, 28 Aug 2015 10:10:14 -0400 chemps2 (1.5-2) unstable; urgency=low [ Sebastian Wouters ] * Fix difference DEB_HOST_GNU_TYPE and DEB_HOST_MULTIARCH on i386 (Closes: #792047) * Fix library dependency BLAS for kFreeBSD (Closes: #792051) * Fix date issues changelog (Closes: #795138) * Fix build-depends python-support (Closes: #796065) [ Graham Inggs ] * Update libchemps2-1.symbols for cxx11 -- Sebastian Wouters Sat, 22 Aug 2015 19:53:36 +0200 chemps2 (1.5-1) unstable; urgency=low * Initial release (Closes: #771112) -- Sebastian Wouters Sun, 14 Jun 2015 13:17:33 -0400 debian/upstream/0000775000000000000000000000000012572027564011042 5ustar debian/upstream/metadata0000664000000000000000000000344412572027564012552 0ustar Name: CheMPS2 Homepage: http://sebwouters.github.io/CheMPS2/index.html Other-References: http://sebwouters.github.io/CheMPS2/publications.html Repository-Browse: https://github.com/SebWouters/CheMPS2 Reference: - Title: "CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry" Year: 2015 URL: https://github.com/SebWouters/CheMPS2 - Author: Sebastian Wouters and Ward Poelmans and Paul W. Ayers and Dimitri Van Neck Title: "CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry" Journal: Computer Physics Communications Year: 2014 Volume: 185 Number: 6 Pages: 1501-1514 DOI: 10.1016/j.cpc.2014.01.019 URL: http://dx.doi.org/10.1016/j.cpc.2014.01.019 eprint: http://www.sciencedirect.com/science/article/pii/S0010465514000496/pdfft?md5=1c5faa5bb18196fd09182764b375f145&pid=1-s2.0-S0010465514000496-main.pdf - Author: Sebastian Wouters and Dimitri Van Neck Title: "The density matrix renormalization group for ab initio quantum chemistry" Journal: European Physical Journal D Year: 2014 Volume: 68 Number: 9 Pages: 272 DOI: 10.1140/epjd/e2014-50500-1 URL: http://dx.doi.org/10.1140/epjd/e2014-50500-1 eprint: http://link.springer.com/content/pdf/10.1140/epjd/e2014-50500-1.pdf - Author: Sebastian Wouters and Thomas Bogaerts and Pascal Van Der Voort and Veronique Van Speybroeck and Dimitri Van Neck Title: "Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)" Journal: Journal of Chemical Physics Year: 2014 Volume: 140 Number: 24 Pages: 241103 DOI: 10.1063/1.4885815 URL: http://dx.doi.org/10.1063/1.4885815 eprint: http://scitation.aip.org/deliver/fulltext/aip/journal/jcp/140/24/1.4885815.pdf debian/docs0000664000000000000000000000001212572027564010046 0ustar README.md debian/copyright0000664000000000000000000000241412572027564011136 0ustar Format: http://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ Upstream-Name: chemps2 Upstream-Contact: Sebastian Wouters Source: https://github.com/SebWouters/CheMPS2/releases/tag/v1.6 #Upstream copyright Files: * Copyright: 2013-2015 Sebastian Wouters License: GPL-2+ #Exception: maintainer copyright (happens to be the same in this case) Files: debian/* Copyright: 2014-2015 Sebastian Wouters License: GPL-2+ License: GPL-2+ This package 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 2 of the License, or (at your option) any later version. . This package is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. . You should have received a copy of the GNU General Public License along with this program. If not, see . On Debian systems, the complete text of the GNU General Public License version 2 can be found in "/usr/share/common-licenses/GPL-2". debian/python-chemps2.install0000664000000000000000000000002012572027564013442 0ustar usr/lib/python* debian/rules0000775000000000000000000000606212572046470010263 0ustar #!/usr/bin/make -f # -*- makefile -*- # Uncomment this to turn on verbose mode. # export DH_VERBOSE=1 DEB_HOST_MULTIARCH ?= $(shell dpkg-architecture -qDEB_HOST_MULTIARCH) # Cfr. https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=773266 DEB_HOST_GNU_TYPE ?= $(shell dpkg-architecture -qDEB_HOST_GNU_TYPE) DEB_BUILD_OPTIONS += partialcheck override_dh_auto_configure: # echo "DEB_HOST_MULTIARCH = ${DEB_HOST_MULTIARCH}" # echo "DEB_HOST_GNU_TYPE = ${DEB_HOST_GNU_TYPE}" dh_auto_configure -- -DCMAKE_INSTALL_LIBDIR=lib/${DEB_HOST_MULTIARCH} \ -DENABLE_XHOST=OFF \ -DBUILD_SPHINX=ON \ -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial override_dh_auto_build: dh_auto_build # https://wiki.debian.org/Python/LibraryStyleGuide: info on sphinx-build PYTHONPATH=. http_proxy='127.0.0.1:9' sphinx-build -N -b html \ -c obj-${DEB_HOST_GNU_TYPE}/sphinx/ \ -D html_theme=default \ -D mathjax_path="/usr/share/javascript/mathjax/MathJax.js" sphinx/ build-sphinx/html # I know it's ugly, but sphinx splits strings at equality signs: http://svn.python.org/projects/doctools/trunk/sphinx/cmdline.py cd build-sphinx/html && sed -i "s/MathJax.js/MathJax.js?config=TeX-AMS-MML_HTMLorMML/" *.html # Solving the complaints from lintian about jquery.js & underscore.js cd build-sphinx/html && sed -i "s/_static\/jquery.js/\/usr\/share\/javascript\/jquery\/jquery.js/" *.html cd build-sphinx/html && sed -i "s/_static\/underscore.js/\/usr\/share\/javascript\/underscore\/underscore.js/" *.html cd build-sphinx/html/_static && rm jquery*.js underscore*.js cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python2 setup.py build_ext -L ../obj-${DEB_HOST_GNU_TYPE}/CheMPS2 override_dh_auto_install: dh_auto_install # This will skip the build as it is already performed cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python2 setup.py install --root=../debian/tmp --install-layout=deb dh_numpy override_dh_auto_test: ifeq (,$(filter nocheck,$(DEB_BUILD_OPTIONS))) # nocheck NOT in variable ifeq (,$(filter fullcheck,$(DEB_BUILD_OPTIONS))) # fullcheck NOT in variable cd obj-${DEB_HOST_GNU_TYPE}/ && ctest -R "^test3|^test5|^test8" else dh_auto_test endif #Just check if the first python test works: python and c++ tests are identical cd PyCheMPS2/tests && PYTHONPATH=../../$(shell find -name lib.*):.. \ LD_LIBRARY_PATH=../../obj-${DEB_HOST_GNU_TYPE}/CheMPS2:/usr/lib/${DEB_HOST_MULTIARCH}/hdf5/serial \ python2 test1.py else echo "DEB_BUILD_OPTIONS contains nocheck: no tests will be performed." endif override_dh_installman: dh_installman chemps2.1 override_dh_installchangelogs: dh_installchangelogs -k CHANGELOG.md override_dh_clean: dh_clean rm -rf build-sphinx PyCheMPS2/build PyCheMPS2/PyCheMPS2.cpp PyCheMPS2/*.pyc %: dh $@ --with python2 debian/chemps2-doc.install0000664000000000000000000000006212572027564012674 0ustar build-sphinx/html/* usr/share/doc/libchemps2/html debian/libchemps2-1.symbols0000664000000000000000000016444612572027564013021 0ustar libchemps2.so.1 libchemps2-1 #MINVER# _ZN7CheMPS210Initialize4InitEv@Base 1.5 _ZN7CheMPS210InitializeC1Ev@Base 1.5 _ZN7CheMPS210InitializeC2Ev@Base 1.5 _ZN7CheMPS210InitializeD0Ev@Base 1.5 _ZN7CheMPS210InitializeD1Ev@Base 1.5 _ZN7CheMPS210InitializeD2Ev@Base 1.5 _ZN7CheMPS210TensorDiag10updateLeftEiPNS_6TensorEPS0_Pd@Base 1.5 _ZN7CheMPS210TensorDiag11updateRightEiPNS_6TensorEPS0_Pd@Base 1.5 _ZN7CheMPS210TensorDiag8gStorageEiiiiii@Base 1.5 _ZN7CheMPS210TensorDiag8gStorageEv@Base 1.5 _ZN7CheMPS210TensorDiagC1EiPKNS_12SyBookkeeperE@Base 1.5 _ZN7CheMPS210TensorDiagC2EiPKNS_12SyBookkeeperE@Base 1.5 _ZN7CheMPS210TensorDiagD0Ev@Base 1.5 _ZN7CheMPS210TensorDiagD1Ev@Base 1.5 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_ZN7CheMPS213TensorF0CbaseD0Ev@Base 1.5 _ZN7CheMPS213TensorF0CbaseD1Ev@Base 1.5 _ZN7CheMPS213TensorF0CbaseD2Ev@Base 1.5 _ZN7CheMPS213TensorF1Dbase16updateMovingLeftEPS0_PNS_7TensorTEPd@Base 1.5 _ZN7CheMPS213TensorF1Dbase17updateMovingRightEPS0_PNS_7TensorTEPd@Base 1.5 _ZN7CheMPS213TensorF1Dbase5ClearEv@Base 1.5 _ZN7CheMPS213TensorF1Dbase6updateEPS0_PNS_7TensorTEPd@Base 1.5 _ZN7CheMPS213TensorF1Dbase8gStorageEiiiiii@Base 1.5 _ZN7CheMPS213TensorF1Dbase8gStorageEv@Base 1.5 _ZN7CheMPS213TensorF1DbaseC1EiibPKNS_12SyBookkeeperE@Base 1.5 _ZN7CheMPS213TensorF1DbaseC2EiibPKNS_12SyBookkeeperE@Base 1.5 _ZN7CheMPS213TensorF1DbaseD0Ev@Base 1.5 _ZN7CheMPS213TensorF1DbaseD1Ev@Base 1.5 _ZN7CheMPS213TensorF1DbaseD2Ev@Base 1.5 _ZN7CheMPS213TensorS0Abase16updateMovingLeftEPS0_PNS_7TensorTEPd@Base 1.5 _ZN7CheMPS213TensorS0Abase17updateMovingRightEPS0_PNS_7TensorTEPd@Base 1.5 _ZN7CheMPS213TensorS0Abase5ClearEv@Base 1.5 _ZN7CheMPS213TensorS0Abase6updateEPS0_PNS_7TensorTEPd@Base 1.5 _ZN7CheMPS213TensorS0Abase8gStorageEiiiiii@Base 1.5 _ZN7CheMPS213TensorS0Abase8gStorageEv@Base 1.5 _ZN7CheMPS213TensorS0AbaseC1EiibPKNS_12SyBookkeeperE@Base 1.5 _ZN7CheMPS213TensorS0AbaseC2EiibPKNS_12SyBookkeeperE@Base 1.5 _ZN7CheMPS213TensorS0AbaseD0Ev@Base 1.5 _ZN7CheMPS213TensorS0AbaseD1Ev@Base 1.5 _ZN7CheMPS213TensorS0AbaseD2Ev@Base 1.5 _ZN7CheMPS213TensorS1Bbase16updateMovingLeftEPS0_PNS_7TensorTEPd@Base 1.5 _ZN7CheMPS213TensorS1Bbase17updateMovingRightEPS0_PNS_7TensorTEPd@Base 1.5 _ZN7CheMPS213TensorS1Bbase5ClearEv@Base 1.5 _ZN7CheMPS213TensorS1Bbase6updateEPS0_PNS_7TensorTEPd@Base 1.5 _ZN7CheMPS213TensorS1Bbase8gStorageEiiiiii@Base 1.5 _ZN7CheMPS213TensorS1Bbase8gStorageEv@Base 1.5 _ZN7CheMPS213TensorS1BbaseC1EiibPKNS_12SyBookkeeperE@Base 1.5 _ZN7CheMPS213TensorS1BbaseC2EiibPKNS_12SyBookkeeperE@Base 1.5 _ZN7CheMPS213TensorS1BbaseD0Ev@Base 1.5 _ZN7CheMPS213TensorS1BbaseD1Ev@Base 1.5 _ZN7CheMPS213TensorS1BbaseD2Ev@Base 1.5 _ZN7CheMPS214DMRGSCFindices25getIrrepOfEachDMRGorbitalEv@Base 1.5 _ZN7CheMPS214DMRGSCFindicesC1EiiPiS1_S1_@Base 1.5 _ZN7CheMPS214DMRGSCFindicesC2EiiPiS1_S1_@Base 1.5 _ZN7CheMPS214DMRGSCFindicesD0Ev@Base 1.5 _ZN7CheMPS214DMRGSCFindicesD1Ev@Base 1.5 _ZN7CheMPS214DMRGSCFindicesD2Ev@Base 1.5 _ZN7CheMPS214DMRGSCFoptions12setStoreDIISEb@Base 1.5 _ZN7CheMPS214DMRGSCFoptions14setNumDIISVecsEi@Base 1.5 _ZN7CheMPS214DMRGSCFoptions15setStoreUnitaryEb@Base 1.5 _ZN7CheMPS214DMRGSCFoptions16setMaxIterationsEi@Base 1.5 _ZN7CheMPS214DMRGSCFoptions17setStartLocRandomEb@Base 1.5 _ZN7CheMPS214DMRGSCFoptions17setStateAveragingEb@Base 1.5 (optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS214DMRGSCFoptions18setDIISStorageNameESs@Base 1.5 _ZN7CheMPS214DMRGSCFoptions19setDumpCorrelationsEb@Base 1.5 _ZN7CheMPS214DMRGSCFoptions19setWhichActiveSpaceEi@Base 1.5 _ZN7CheMPS214DMRGSCFoptions20setGradientThresholdEd@Base 1.5 _ZN7CheMPS214DMRGSCFoptions21setDIISGradientBranchEd@Base 1.5 (optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS214DMRGSCFoptions21setUnitaryStorageNameESs@Base 1.5 _ZN7CheMPS214DMRGSCFoptions9setDoDIISEb@Base 1.5 _ZN7CheMPS214DMRGSCFoptionsC1Ev@Base 1.5 _ZN7CheMPS214DMRGSCFoptionsC2Ev@Base 1.5 _ZN7CheMPS214DMRGSCFoptionsD0Ev@Base 1.5 _ZN7CheMPS214DMRGSCFoptionsD1Ev@Base 1.5 _ZN7CheMPS214DMRGSCFoptionsD2Ev@Base 1.5 _ZN7CheMPS214DMRGSCFunitary13updateUnitaryEPdS1_S1_bb@Base 1.5 _ZN7CheMPS214DMRGSCFunitary23makeSureAllBlocksDetOneEPdS1_@Base 1.5 _ZN7CheMPS214DMRGSCFunitary24rotateActiveSpaceVectorsEPdS1_@Base 1.5 (optional)_ZN7CheMPS214DMRGSCFunitary5loadUENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS214DMRGSCFunitary5loadUESs@Base 1.5 _ZN7CheMPS214DMRGSCFunitary8getBlockEi@Base 1.5 _ZN7CheMPS214DMRGSCFunitaryC1EPNS_14DMRGSCFindicesE@Base 1.5 _ZN7CheMPS214DMRGSCFunitaryC2EPNS_14DMRGSCFindicesE@Base 1.5 _ZN7CheMPS214DMRGSCFunitaryD0Ev@Base 1.5 _ZN7CheMPS214DMRGSCFunitaryD1Ev@Base 1.5 _ZN7CheMPS214DMRGSCFunitaryD2Ev@Base 1.5 _ZN7CheMPS216DMRGSCFintegrals11add_coulombEiiiiiiiid@Base 1.5 _ZN7CheMPS216DMRGSCFintegrals11set_coulombEiiiiiiiid@Base 1.5 _ZN7CheMPS216DMRGSCFintegrals12add_exchangeEiiiiiiiid@Base 1.5 _ZN7CheMPS216DMRGSCFintegrals12set_exchangeEiiiiiiiid@Base 1.5 _ZN7CheMPS216DMRGSCFintegrals22calcNumCoulombElementsEb@Base 1.5 _ZN7CheMPS216DMRGSCFintegrals23calcNumExchangeElementsEb@Base 1.5 _ZN7CheMPS216DMRGSCFintegrals5clearEv@Base 1.5 _ZN7CheMPS216DMRGSCFintegralsC1EPNS_14DMRGSCFindicesE@Base 1.5 _ZN7CheMPS216DMRGSCFintegralsC2EPNS_14DMRGSCFindicesE@Base 1.5 _ZN7CheMPS216DMRGSCFintegralsD0Ev@Base 1.5 _ZN7CheMPS216DMRGSCFintegralsD1Ev@Base 1.5 _ZN7CheMPS216DMRGSCFintegralsD2Ev@Base 1.5 _ZN7CheMPS217ConvergenceScheme12getMaxSweepsEi@Base 1.5 _ZN7CheMPS217ConvergenceScheme14setInstructionEiidid@Base 1.5 _ZN7CheMPS217ConvergenceScheme16getNInstructionsEv@Base 1.5 _ZN7CheMPS217ConvergenceScheme17getNoisePrefactorEi@Base 1.5 _ZN7CheMPS217ConvergenceScheme4getDEi@Base 1.5 _ZN7CheMPS217ConvergenceScheme8getEconvEi@Base 1.5 _ZN7CheMPS217ConvergenceSchemeC1Ei@Base 1.5 _ZN7CheMPS217ConvergenceSchemeC2Ei@Base 1.5 _ZN7CheMPS217ConvergenceSchemeD0Ev@Base 1.5 _ZN7CheMPS217ConvergenceSchemeD1Ev@Base 1.5 _ZN7CheMPS217ConvergenceSchemeD2Ev@Base 1.5 _ZN7CheMPS218EdmistonRuedenberg10getUnitaryEv@Base 1.5 _ZN7CheMPS218EdmistonRuedenberg15FiedlerExchangeEiPdS1_@Base 1.5 _ZN7CheMPS218EdmistonRuedenberg7FiedlerEiPiPdS2_@Base 1.5 _ZN7CheMPS218EdmistonRuedenberg8OptimizeEPdS1_bdi@Base 1.5 _ZN7CheMPS218EdmistonRuedenbergC1EPNS_11HamiltonianEi@Base 1.5 _ZN7CheMPS218EdmistonRuedenbergC2EPNS_11HamiltonianEi@Base 1.5 _ZN7CheMPS218EdmistonRuedenbergD0Ev@Base 1.5 _ZN7CheMPS218EdmistonRuedenbergD1Ev@Base 1.5 _ZN7CheMPS218EdmistonRuedenbergD2Ev@Base 1.5 _ZN7CheMPS220DMRGSCFVmatRotationsC1EPNS_11HamiltonianEPNS_14DMRGSCFindicesE@Base 1.5 _ZN7CheMPS220DMRGSCFVmatRotationsC2EPNS_11HamiltonianEPNS_14DMRGSCFindicesE@Base 1.5 _ZN7CheMPS220DMRGSCFVmatRotationsD0Ev@Base 1.5 _ZN7CheMPS220DMRGSCFVmatRotationsD1Ev@Base 1.5 _ZN7CheMPS220DMRGSCFVmatRotationsD2Ev@Base 1.5 _ZN7CheMPS23FCI10FillRandomEyPd@Base 1.5 _ZN7CheMPS23FCI11ClearVectorEyPd@Base 1.5 _ZN7CheMPS23FCI16FCIfrobeniusnormEyPd@Base 1.5 _ZN7CheMPS23FCI18StartupIrrepCenterEv@Base 1.5 _ZN7CheMPS23FCI19StartupLookupTablesEv@Base 1.5 _ZN7CheMPS23FCI27StartupCountersVsBitstringsEv@Base 1.5 _ZN7CheMPS23FCI7FCIddotEyPdS1_@Base 1.5 _ZN7CheMPS23FCI8FCIdaxpyEydPdS1_@Base 1.5 _ZN7CheMPS23FCI8FCIdcopyEyPdS1_@Base 1.5 _ZN7CheMPS23FCI8FCIdscalEydPd@Base 1.5 _ZN7CheMPS23FCI8bits2strEjPi@Base 1.5 _ZN7CheMPS23FCI8str2bitsEjjPi@Base 1.5 _ZN7CheMPS23FCIC1EPNS_11HamiltonianEjjidi@Base 1.5 _ZN7CheMPS23FCIC2EPNS_11HamiltonianEjjidi@Base 1.5 _ZN7CheMPS23FCID0Ev@Base 1.5 _ZN7CheMPS23FCID1Ev@Base 1.5 _ZN7CheMPS23FCID2Ev@Base 1.5 _ZN7CheMPS24DIIS12getLastLincoEv@Base 1.5 _ZN7CheMPS24DIIS14calculateParamEPd@Base 1.5 (optional)_ZN7CheMPS24DIIS8loadDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS24DIIS8loadDIISESs@Base 1.5 _ZN7CheMPS24DIIS9appendNewEPdS1_@Base 1.5 _ZN7CheMPS24DIISC1Eiii@Base 1.5 _ZN7CheMPS24DIISC2Eiii@Base 1.5 _ZN7CheMPS24DIISD0Ev@Base 1.5 _ZN7CheMPS24DIISD1Ev@Base 1.5 _ZN7CheMPS24DIISD2Ev@Base 1.5 _ZN7CheMPS24DMRG10sweeprightEbib@Base 1.5 _ZN7CheMPS24DMRG12PrintLicenseEv@Base 1.5 _ZN7CheMPS24DMRG13calcVeffTildeEPdPNS_7SobjectEi@Base 1.5 _ZN7CheMPS24DMRG13deleteTensorsEib@Base 1.5 _ZN7CheMPS24DMRG13newExcitationEd@Base 1.5 _ZN7CheMPS24DMRG15OperatorsOnDiskEibb@Base 1.5 _ZN7CheMPS24DMRG15allocateTensorsEib@Base 1.5 _ZN7CheMPS24DMRG15deleteStoredMPSEv@Base 1.5 _ZN7CheMPS24DMRG16trianglefunctionEii@Base 1.5 _ZN7CheMPS24DMRG16updateMovingLeftEi@Base 1.5 _ZN7CheMPS24DMRG17updateMovingRightEi@Base 1.5 (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 (optional)_ZN7CheMPS24DMRG18MY_HDF5_READ_BATCHEiiPPNS_6TensorExSs@Base 1.6 (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 (optional)_ZN7CheMPS24DMRG19MY_HDF5_WRITE_BATCHEiiPPNS_6TensorExSs@Base 1.6 _ZN7CheMPS24DMRG19activateExcitationsEi@Base 1.5 _ZN7CheMPS24DMRG19prepare_excitationsEPNS_7SobjectE@Base 1.5 _ZN7CheMPS24DMRG20updateMovingLeftSafeEi@Base 1.5 _ZN7CheMPS24DMRG21deleteStoredOperatorsEv@Base 1.5 _ZN7CheMPS24DMRG21setupBookkeeperAndMPSEv@Base 1.5 _ZN7CheMPS24DMRG21updateMovingRightSafeEi@Base 1.5 _ZN7CheMPS24DMRG22calc2DMandCorrelationsEv@Base 1.5 _ZN7CheMPS24DMRG23updateMovingLeftSafe2DMEi@Base 1.5 _ZN7CheMPS24DMRG26deleteAllBoundaryOperatorsEv@Base 1.5 _ZN7CheMPS24DMRG27calcOverlapsWithLowerStatesEv@Base 1.5 _ZN7CheMPS24DMRG30updateMovingRightSafeFirstTimeEi@Base 1.5 _ZN7CheMPS24DMRG5SolveEv@Base 1.5 (optional)_ZN7CheMPS24DMRG7loadDIMENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPNS_12SyBookkeeperE@Base 1.5 (optional)_ZN7CheMPS24DMRG7loadDIMESsPNS_12SyBookkeeperE@Base 1.5 (optional)_ZN7CheMPS24DMRG7loadMPSENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPPNS_7TensorTEPb@Base 1.5 (optional)_ZN7CheMPS24DMRG7loadMPSESsPPNS_7TensorTEPb@Base 1.5 _ZN7CheMPS24DMRG8PreSolveEv@Base 1.5 _ZN7CheMPS24DMRG9sweepleftEbib@Base 1.5 (optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS24DMRGC1EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5 (optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZN7CheMPS24DMRGC2EPNS_7ProblemEPNS_17ConvergenceSchemeEbSs@Base 1.5 _ZN7CheMPS24DMRGD0Ev@Base 1.5 _ZN7CheMPS24DMRGD1Ev@Base 1.5 _ZN7CheMPS24DMRGD2Ev@Base 1.5 _ZN7CheMPS24HeffC1EPKNS_12SyBookkeeperEPKNS_7ProblemE@Base 1.5 _ZN7CheMPS24HeffC2EPKNS_12SyBookkeeperEPKNS_7ProblemE@Base 1.5 _ZN7CheMPS24HeffD0Ev@Base 1.5 _ZN7CheMPS24HeffD1Ev@Base 1.5 _ZN7CheMPS24HeffD2Ev@Base 1.5 _ZN7CheMPS25TwoDM10calcEnergyEv@Base 1.5 _ZN7CheMPS25TwoDM10doD17orD21EPNS_7TensorTEPNS_7TensorLEPNS_8TensorF0EPdS7_ib@Base 1.5 _ZN7CheMPS25TwoDM10doD18orD22EPNS_7TensorTEPNS_7TensorLEPNS_8TensorF0EPdS7_ib@Base 1.5 _ZN7CheMPS25TwoDM10doD19orD23EPNS_7TensorTEPNS_7TensorLEPNS_8TensorF1EPdS7_ib@Base 1.5 _ZN7CheMPS25TwoDM10doD20orD24EPNS_7TensorTEPNS_7TensorLEPNS_8TensorF1EPdS7_ib@Base 1.5 _ZN7CheMPS25TwoDM14setTwoDMA_DMRGEiiiid@Base 1.5 _ZN7CheMPS25TwoDM14setTwoDMB_DMRGEiiiid@Base 1.5 _ZN7CheMPS25TwoDM15doubletrace2DMAEv@Base 1.5 _ZN7CheMPS25TwoDM16doD9andD10andD11EPNS_7TensorTEPNS_7TensorLES4_PdS5_S5_S5_S5_i@Base 1.5 _ZN7CheMPS25TwoDM16trianglefunctionEii@Base 1.5 _ZN7CheMPS25TwoDM4doD1EPNS_7TensorTE@Base 1.5 _ZN7CheMPS25TwoDM4doD2EPNS_7TensorTEPNS_7TensorLEPd@Base 1.5 _ZN7CheMPS25TwoDM4doD3EPNS_7TensorTEPNS_8TensorS0EPd@Base 1.5 _ZN7CheMPS25TwoDM4doD4EPNS_7TensorTEPNS_8TensorF0EPd@Base 1.5 _ZN7CheMPS25TwoDM4doD5EPNS_7TensorTEPNS_8TensorF0EPd@Base 1.5 _ZN7CheMPS25TwoDM4doD6EPNS_7TensorTEPNS_8TensorF1EPd@Base 1.5 _ZN7CheMPS25TwoDM4doD7EPNS_7TensorTEPNS_7TensorLEPd@Base 1.5 _ZN7CheMPS25TwoDM4doD8EPNS_7TensorTEPNS_7TensorLES4_PdS5_i@Base 1.5 _ZN7CheMPS25TwoDM4readEv@Base 1.5 _ZN7CheMPS25TwoDM4saveEv@Base 1.5 _ZN7CheMPS25TwoDM5doD12EPNS_7TensorTEPNS_7TensorLES4_PdS5_i@Base 1.5 _ZN7CheMPS25TwoDM5doD13EPNS_7TensorTEPNS_7TensorLEPNS_8TensorS0EPdS7_i@Base 1.5 _ZN7CheMPS25TwoDM5doD14EPNS_7TensorTEPNS_7TensorLEPNS_8TensorS0EPdS7_i@Base 1.5 _ZN7CheMPS25TwoDM5doD15EPNS_7TensorTEPNS_7TensorLEPNS_8TensorS1EPdS7_i@Base 1.5 _ZN7CheMPS25TwoDM5doD16EPNS_7TensorTEPNS_7TensorLEPNS_8TensorS1EPdS7_i@Base 1.5 _ZN7CheMPS25TwoDM8FillSiteEPNS_7TensorTEPPPNS_7TensorLEPPPPNS_8TensorF0EPPPPNS_8TensorF1EPPPPNS_8TensorS0EPPPPNS_8TensorS1E@Base 1.5 _ZN7CheMPS25TwoDMC1EPKNS_12SyBookkeeperEPKNS_7ProblemE@Base 1.5 _ZN7CheMPS25TwoDMC2EPKNS_12SyBookkeeperEPKNS_7ProblemE@Base 1.5 _ZN7CheMPS25TwoDMD0Ev@Base 1.5 _ZN7CheMPS25TwoDMD1Ev@Base 1.5 _ZN7CheMPS25TwoDMD2Ev@Base 1.5 _ZN7CheMPS26CASSCF10setDMRG1DMEiiPdS1_@Base 1.5 _ZN7CheMPS26CASSCF10setupStartEPiS1_S1_@Base 1.5 _ZN7CheMPS26CASSCF11buildWtildeEPNS_13DMRGSCFwtildeEPKNS_13DMRGSCFmatrixES5_S5_PKNS_14DMRGSCFindicesEPKNS_16DMRGSCFintegralsEPdSC_@Base 1.5 _ZN7CheMPS26CASSCF11calcHessianEPKNS_13DMRGSCFmatrixEPKNS_13DMRGSCFwtildeEPKNS_14DMRGSCFindicesEPKNS_14DMRGSCFunitaryEPdi@Base 1.5 _ZN7CheMPS26CASSCF11copy2DMoverEPNS_5TwoDMEiPd@Base 1.5 _ZN7CheMPS26CASSCF12buildQmatACTEv@Base 1.5 _ZN7CheMPS26CASSCF12buildQmatOCCEv@Base 1.5 _ZN7CheMPS26CASSCF12buildTmatrixEv@Base 1.5 _ZN7CheMPS26CASSCF12calcGradientEPKNS_13DMRGSCFmatrixEPKNS_14DMRGSCFindicesEPKNS_14DMRGSCFunitaryEPd@Base 1.5 _ZN7CheMPS26CASSCF13PrintCoeff_C2EPNS_4DMRGE@Base 1.5 _ZN7CheMPS26CASSCF14rotateOldToNewEPNS_13DMRGSCFmatrixE@Base 1.5 _ZN7CheMPS26CASSCF15rotate2DMand1DMEiiPdS1_S1_S1_@Base 1.5 _ZN7CheMPS26CASSCF17getNumberOfIrrepsEv@Base 1.5 (optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 _ZN7CheMPS26CASSCF18allocateAndFillOCCEPiS1_@Base 1.5 (optional)_ZN7CheMPS26CASSCF18allocateAndFillOCCESs@Base 1.5 _ZN7CheMPS26CASSCF18augmentedHessianNREPKNS_13DMRGSCFmatrixEPKNS_13DMRGSCFwtildeEPKNS_14DMRGSCFindicesEPKNS_14DMRGSCFunitaryEPdSD_SD_@Base 1.5 _ZN7CheMPS26CASSCF21doCASSCFnewtonraphsonEiiiPNS_17ConvergenceSchemeEiPNS_14DMRGSCFoptionsE@Base 1.5 _ZN7CheMPS26CASSCF29fillLocalizedOrbitalRotationsEPNS_14DMRGSCFunitaryEPNS_14DMRGSCFindicesEPd@Base 1.5 _ZN7CheMPS26CASSCF46constructCoulombAndExchangeMatrixInOrigIndicesEPNS_13DMRGSCFmatrixES2_@Base 1.5 _ZN7CheMPS26CASSCF4WmatEPKNS_13DMRGSCFmatrixEPKNS_13DMRGSCFwtildeEPKNS_14DMRGSCFindicesEiiiiii@Base 1.5 _ZN7CheMPS26CASSCF7checkHFEv@Base 1.5 _ZN7CheMPS26CASSCF8calcNOONEPNS_14DMRGSCFindicesEPdS3_S3_@Base 1.5 _ZN7CheMPS26CASSCF9buildFmatEPNS_13DMRGSCFmatrixEPKS1_S4_S4_PKNS_14DMRGSCFindicesEPKNS_16DMRGSCFintegralsEPdSB_@Base 1.5 (optional)_ZN7CheMPS26CASSCFC1ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 _ZN7CheMPS26CASSCFC1EPNS_11HamiltonianEPiS3_@Base 1.5 (optional)_ZN7CheMPS26CASSCFC1ESs@Base 1.5 (optional)_ZN7CheMPS26CASSCFC2ENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 _ZN7CheMPS26CASSCFC2EPNS_11HamiltonianEPiS3_@Base 1.5 (optional)_ZN7CheMPS26CASSCFC2ESs@Base 1.5 _ZN7CheMPS26CASSCFD0Ev@Base 1.5 _ZN7CheMPS26CASSCFD1Ev@Base 1.5 _ZN7CheMPS26CASSCFD2Ev@Base 1.5 (optional)_ZN7CheMPS26Irreps12getGroupNameB5cxx11Ei@Base 1.5 (optional)_ZN7CheMPS26Irreps12getGroupNameEi@Base 1.5 (optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiSs@Base 1.6 (optional)_ZN7CheMPS26Irreps15symm_psi2molproEPiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.6 _ZN7CheMPS26Irreps17getNumberOfIrrepsEi@Base 1.5 (optional)_ZN7CheMPS26Irreps19getGroupNamePrivateB5cxx11Ei@Base 1.5 (optional)_ZN7CheMPS26Irreps19getGroupNamePrivateEi@Base 1.5 (optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateB5cxx11Eii@Base 1.5 (optional)_ZN7CheMPS26Irreps19getIrrepNamePrivateEii@Base 1.5 _ZN7CheMPS26Irreps8printAllEv@Base 1.5 _ZN7CheMPS26Irreps8setGroupEi@Base 1.5 _ZN7CheMPS26IrrepsC1Ei@Base 1.5 _ZN7CheMPS26IrrepsC1Ev@Base 1.5 _ZN7CheMPS26IrrepsC2Ei@Base 1.5 _ZN7CheMPS26IrrepsC2Ev@Base 1.5 _ZN7CheMPS26IrrepsD0Ev@Base 1.5 _ZN7CheMPS26IrrepsD1Ev@Base 1.5 _ZN7CheMPS26IrrepsD2Ev@Base 1.5 _ZN7CheMPS27Problem12setMxElementEiiiid@Base 1.5 _ZN7CheMPS27Problem15SetupReorderC2vEv@Base 1.6 _ZN7CheMPS27Problem15SetupReorderD2hEv@Base 1.5 _ZN7CheMPS27Problem16construct_mxelemEv@Base 1.5 _ZN7CheMPS27Problem19setup_reorder_dinfhEPid@Base 1.6 _ZN7CheMPS27Problem20setup_reorder_customEPi@Base 1.6 _ZN7CheMPS27ProblemC1EPKNS_11HamiltonianEiii@Base 1.5 _ZN7CheMPS27ProblemC2EPKNS_11HamiltonianEiii@Base 1.5 _ZN7CheMPS27ProblemD0Ev@Base 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_ZNK7CheMPS212Correlations8diagram2EPNS_7TensorTEPNS_9TensorGYZEPd@Base 1.5 _ZNK7CheMPS212Correlations8diagram3EPNS_7TensorTEPNS_9TensorGYZEPd@Base 1.5 _ZNK7CheMPS212Correlations8diagram4EPNS_7TensorTEPNS_10TensorSwapEPd@Base 1.5 _ZNK7CheMPS212Correlations8diagram5EPNS_7TensorTEPNS_10TensorSwapEPd@Base 1.5 _ZNK7CheMPS212SyBookkeeper10IsPossibleEv@Base 1.5 _ZNK7CheMPS212SyBookkeeper11gCurrentDimEiiii@Base 1.5 _ZNK7CheMPS212SyBookkeeper11gDimPrivateEPPPPiiiii@Base 1.5 _ZNK7CheMPS212SyBookkeeper14gMaxDimAtBoundEi@Base 1.5 _ZNK7CheMPS212SyBookkeeper14gTotDimAtBoundEi@Base 1.5 _ZNK7CheMPS212SyBookkeeper2gLEv@Base 1.5 _ZNK7CheMPS212SyBookkeeper2gNEv@Base 1.5 _ZNK7CheMPS212SyBookkeeper5gNmaxEi@Base 1.5 _ZNK7CheMPS212SyBookkeeper5gNminEi@Base 1.5 _ZNK7CheMPS212SyBookkeeper5gTwoSEv@Base 1.5 _ZNK7CheMPS212SyBookkeeper5printEv@Base 1.5 _ZNK7CheMPS212SyBookkeeper6gIrrepEi@Base 1.5 _ZNK7CheMPS212SyBookkeeper6gIrrepEv@Base 1.5 _ZNK7CheMPS212SyBookkeeper7gFCIdimEiiii@Base 1.5 _ZNK7CheMPS212SyBookkeeper8gTwoSmaxEii@Base 1.5 _ZNK7CheMPS212SyBookkeeper8gTwoSminEii@Base 1.5 _ZNK7CheMPS212TwoDMstorage10getPointerEiiiiiiii@Base 1.5 _ZNK7CheMPS212TwoDMstorage3getEiiiiiiii@Base 1.5 (optional)_ZNK7CheMPS212TwoDMstorage4saveENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZNK7CheMPS212TwoDMstorage4saveESs@Base 1.5 _ZNK7CheMPS213DMRGSCFmatrix3getEiii@Base 1.5 _ZNK7CheMPS213DMRGSCFwtilde3getEiiiiii@Base 1.5 _ZNK7CheMPS213TensorF0Cbase12gKappa2indexEi@Base 1.5 _ZNK7CheMPS213TensorF0Cbase6gIdiffEv@Base 1.5 _ZNK7CheMPS213TensorF0Cbase6gIndexEv@Base 1.5 _ZNK7CheMPS213TensorF0Cbase6gKappaEiiiiii@Base 1.5 _ZNK7CheMPS213TensorF0Cbase7gNKappaEv@Base 1.5 _ZNK7CheMPS213TensorF1Dbase12gKappa2indexEi@Base 1.5 _ZNK7CheMPS213TensorF1Dbase6gIdiffEv@Base 1.5 _ZNK7CheMPS213TensorF1Dbase6gIndexEv@Base 1.5 _ZNK7CheMPS213TensorF1Dbase6gKappaEiiiiii@Base 1.5 _ZNK7CheMPS213TensorF1Dbase7gNKappaEv@Base 1.5 _ZNK7CheMPS213TensorS0Abase12gKappa2indexEi@Base 1.5 _ZNK7CheMPS213TensorS0Abase6gIdiffEv@Base 1.5 _ZNK7CheMPS213TensorS0Abase6gIndexEv@Base 1.5 _ZNK7CheMPS213TensorS0Abase6gKappaEiiiiii@Base 1.5 _ZNK7CheMPS213TensorS0Abase7gNKappaEv@Base 1.5 _ZNK7CheMPS213TensorS1Bbase12gKappa2indexEi@Base 1.5 _ZNK7CheMPS213TensorS1Bbase6gIdiffEv@Base 1.5 _ZNK7CheMPS213TensorS1Bbase6gIndexEv@Base 1.5 _ZNK7CheMPS213TensorS1Bbase6gKappaEiiiiii@Base 1.5 _ZNK7CheMPS213TensorS1Bbase7gNKappaEv@Base 1.5 _ZNK7CheMPS214DMRGSCFindices10getNirrepsEv@Base 1.5 _ZNK7CheMPS214DMRGSCFindices15getOrbitalIrrepEi@Base 1.5 _ZNK7CheMPS214DMRGSCFindices16getOrigNOCCstartEi@Base 1.5 _ZNK7CheMPS214DMRGSCFindices17getDMRGcumulativeEi@Base 1.5 _ZNK7CheMPS214DMRGSCFindices17getOrigNDMRGstartEi@Base 1.5 _ZNK7CheMPS214DMRGSCFindices17getOrigNVIRTstartEi@Base 1.5 _ZNK7CheMPS214DMRGSCFindices4getLEv@Base 1.5 _ZNK7CheMPS214DMRGSCFindices5PrintEv@Base 1.5 _ZNK7CheMPS214DMRGSCFindices7getNOCCEi@Base 1.5 _ZNK7CheMPS214DMRGSCFindices7getNORBEi@Base 1.5 _ZNK7CheMPS214DMRGSCFindices8getNDMRGEi@Base 1.5 _ZNK7CheMPS214DMRGSCFindices8getNVIRTEi@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions12getStoreDIISEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions14getNumDIISVecsEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions15getStoreUnitaryEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions16getMaxIterationsEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions17getStartLocRandomEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions17getStateAveragingEv@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameB5cxx11Ev@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFoptions18getDIISStorageNameEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions19getDumpCorrelationsEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions19getWhichActiveSpaceEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions20getGradientThresholdEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions21getDIISGradientBranchEv@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameB5cxx11Ev@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFoptions21getUnitaryStorageNameEv@Base 1.5 _ZNK7CheMPS214DMRGSCFoptions9getDoDIISEv@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary13getFirstIndexEi@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary14buildSkewSymmXEiPdS1_b@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary14getLinearIndexEii@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary14getSecondIndexEi@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary16getNumVariablesXEv@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFunitary19deleteStoredUnitaryESs@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary25CheckDeviationFromUnitaryEPd@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary3BCHEPdS1_S1_S1_S1_@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFunitary5saveUENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZNK7CheMPS214DMRGSCFunitary5saveUESs@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary6getLogEPdS1_S1_@Base 1.5 _ZNK7CheMPS214DMRGSCFunitary9getJumperEii@Base 1.5 _ZNK7CheMPS216DMRGSCFintegrals11get_coulombEiiiiiiii@Base 1.5 _ZNK7CheMPS216DMRGSCFintegrals12FourIndexAPIEiiiiiiii@Base 1.5 _ZNK7CheMPS216DMRGSCFintegrals12get_exchangeEiiiiiiii@Base 1.5 _ZNK7CheMPS216DMRGSCFintegrals15get_coulomb_ptrEiiiiiiii@Base 1.5 _ZNK7CheMPS216DMRGSCFintegrals16get_exchange_ptrEiiiiiiii@Base 1.5 _ZNK7CheMPS218EdmistonRuedenberg12costFunctionEv@Base 1.5 _ZNK7CheMPS218EdmistonRuedenberg16calcHessianValueEiiiii@Base 1.5 _ZNK7CheMPS218EdmistonRuedenberg17calcGradientValueEiii@Base 1.5 _ZNK7CheMPS218EdmistonRuedenberg19FiedlerExchangeCostEv@Base 1.5 _ZNK7CheMPS218EdmistonRuedenberg29augmentedHessianNewtonRaphsonEPdS1_S1_@Base 1.5 _ZNK7CheMPS220DMRGSCFVmatRotations12fillVmatDMRGEPNS_11HamiltonianEPNS_14DMRGSCFunitaryEPdS5_@Base 1.5 _ZNK7CheMPS220DMRGSCFVmatRotations14fillRotatedTEIEPNS_16DMRGSCFintegralsEPNS_14DMRGSCFunitaryEPdS5_@Base 1.5 _ZNK7CheMPS220DMRGSCFVmatRotations15fillVmatRotatedEPNS_9FourIndexEPNS_14DMRGSCFunitaryEPdS5_@Base 1.5 _ZNK7CheMPS220DMRGSCFVmatRotations21fillVmatDMRGBlockWiseEPNS_11HamiltonianEPNS_14DMRGSCFunitaryEPdS5_S5_i@Base 1.5 _ZNK7CheMPS220DMRGSCFVmatRotations23fillRotatedTEIBlockWiseEPNS_16DMRGSCFintegralsEPNS_14DMRGSCFunitaryEPdS5_S5_i@Base 1.5 _ZNK7CheMPS220DMRGSCFVmatRotations24fillVmatRotatedBlockWiseEPNS_9FourIndexEPNS_14DMRGSCFunitaryEPdS5_S5_ib@Base 1.5 _ZNK7CheMPS23FCI10CGOperatorEdddPdS1_S1_S1_S1_@Base 1.5 _ZNK7CheMPS23FCI10GSDavidsonEPdi@Base 1.5 _ZNK7CheMPS23FCI10RetardedGFEddjjbdPdPNS_11HamiltonianES1_S1_@Base 1.5 _ZNK7CheMPS23FCI11HamTimesVecEPdS1_@Base 1.5 _ZNK7CheMPS23FCI11getFCIcoeffEPiS1_Pd@Base 1.5 _ZNK7CheMPS23FCI12CGCoreSolverEdddPdS1_S1_S1_S1_S1_S1_@Base 1.5 _ZNK7CheMPS23FCI13CGDiagPrecondEdddPdS1_@Base 1.5 _ZNK7CheMPS23FCI13CGSolveSystemEdddPdS1_S1_b@Base 1.5 _ZNK7CheMPS23FCI14DiagHamSquaredEPd@Base 1.5 _ZNK7CheMPS23FCI15CalcSpinSquaredEPd@Base 1.5 _ZNK7CheMPS23FCI16GFmatrix_removalEdddPijS1_jbPdPNS_11HamiltonianES2_S2_PS2_S5_S5_@Base 1.5 _ZNK7CheMPS23FCI16GetMatrixElementEPiS1_S1_S1_S1_@Base 1.5 _ZNK7CheMPS23FCI16getBitsOfCounterEiyPiS1_@Base 1.5 _ZNK7CheMPS23FCI17DensityResponseGFEddjjdPdS1_S1_@Base 1.5 _ZNK7CheMPS23FCI17GFmatrix_additionEdddPijS1_jbPdPNS_11HamiltonianES2_S2_PS2_S5_S5_@Base 1.5 _ZNK7CheMPS23FCI18CGAlphaPlusBetaHAMEddPdS1_@Base 1.5 _ZNK7CheMPS23FCI18RetardedGF_removalEddjjbdPdPNS_11HamiltonianES1_S1_S1_S1_S1_@Base 1.5 _ZNK7CheMPS23FCI19RetardedGF_additionEddjjbdPdPNS_11HamiltonianES1_S1_S1_S1_S1_@Base 1.5 _ZNK7CheMPS23FCI19getUpIrrepOfCounterEiy@Base 1.5 _ZNK7CheMPS23FCI21ActWithNumberOperatorEjPdS1_@Base 1.5 _ZNK7CheMPS23FCI23LowestEnergyDeterminantEv@Base 1.5 _ZNK7CheMPS23FCI25DensityResponseGF_forwardEddjjdPdS1_S1_S1_S1_S1_@Base 1.5 _ZNK7CheMPS23FCI26DensityResponseGF_backwardEddjjdPdS1_S1_S1_S1_S1_@Base 1.5 _ZNK7CheMPS23FCI30ActWithSecondQuantizedOperatorEcbjPdPKS0_S1_@Base 1.5 _ZNK7CheMPS23FCI7DiagHamEPd@Base 1.5 _ZNK7CheMPS23FCI8Fill2RDMEPdS1_@Base 1.5 _ZNK7CheMPS24DIIS10getNumVecsEv@Base 1.5 _ZNK7CheMPS24DIIS15getNumVarsErrorEv@Base 1.5 _ZNK7CheMPS24DIIS15getNumVarsParamEv@Base 1.5 (optional)_ZNK7CheMPS24DIIS16deleteStoredDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZNK7CheMPS24DIIS16deleteStoredDIISESs@Base 1.5 _ZNK7CheMPS24DIIS17getCurrentNumVecsEv@Base 1.5 (optional)_ZNK7CheMPS24DIIS8saveDIISENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base 1.5 (optional)_ZNK7CheMPS24DIIS8saveDIISESs@Base 1.5 _ZNK7CheMPS24DMRG17getFCIcoefficientEPiS1_b@Base 1.5 _ZNK7CheMPS24DMRG19cleanup_excitationsEPPd@Base 1.5 _ZNK7CheMPS24DMRG22getSpecificCoefficientEPi@Base 1.5 (optional)_ZNK7CheMPS24DMRG7saveMPSENSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5 (optional)_ZNK7CheMPS24DMRG7saveMPSESsPPNS_7TensorTEPNS_12SyBookkeeperEb@Base 1.5 _ZNK7CheMPS24Heff12addDiagram1AEiPdS1_PKNS_7SobjectEPNS_7TensorXE@Base 1.5 _ZNK7CheMPS24Heff12addDiagram1BEiPdS1_PKNS_7SobjectEPNS_7TensorXE@Base 1.5 _ZNK7CheMPS24Heff12addDiagram1CEiPdS1_PKNS_7SobjectEd@Base 1.5 _ZNK7CheMPS24Heff12addDiagram1DEiPdS1_PKNS_7SobjectEd@Base 1.5 _ZNK7CheMPS24Heff12addDiagram3CEiPdS1_PKNS_7SobjectEPPNS_7TensorQEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram3JEiPdS1_PKNS_7SobjectEPPNS_7TensorQEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram4DEiPdS1_PKNS_7SobjectEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram4EEiPdS1_PKNS_7SobjectEPPNS_7TensorLES7_S1_S1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram4FEiPdS1_PKNS_7SobjectEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram4GEiPdS1_PKNS_7SobjectEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram4HEiPdS1_PKNS_7SobjectEPPNS_7TensorLES7_S1_S1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram4IEiPdS1_PKNS_7SobjectEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram5AEiPdS1_PKNS_7SobjectEPPNS_7TensorLES7_S1_S1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram5BEiPdS1_PKNS_7SobjectEPPNS_7TensorLES7_S1_S1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram5CEiPdS1_PKNS_7SobjectEPPNS_7TensorLES7_S1_S1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram5DEiPdS1_PKNS_7SobjectEPPNS_7TensorLES7_S1_S1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram5EEiPdS1_PKNS_7SobjectEPPNS_7TensorLES7_S1_S1_@Base 1.5 _ZNK7CheMPS24Heff12addDiagram5FEiPdS1_PKNS_7SobjectEPPNS_7TensorLES7_S1_S1_@Base 1.5 _ZNK7CheMPS24Heff12fillHeffDiagEPdPKNS_7SobjectEPPPPNS_7TensorCEPPPPNS_7TensorDEPPPPNS_8TensorF0EPPPPNS_8TensorF1EPPNS_7TensorXEiPS1_@Base 1.5 _ZNK7CheMPS24Heff13SolveDAVIDSONEPNS_7SobjectEPPPNS_7TensorLEPPPPNS_7TensorAEPPPPNS_7TensorBEPPPPNS_7TensorCEPPPPNS_7TensorDEPPPPNS_8TensorS0EPPPPNS_8TensorS1EPPPPNS_8TensorF0EPPPPNS_8TensorF1EPPPNS_7TensorQEPPNS_7TensorXEiPPd@Base 1.5 _ZNK7CheMPS24Heff13addDiagonal1AEiPdPKNS_7SobjectEPNS_7TensorXE@Base 1.5 _ZNK7CheMPS24Heff13addDiagonal1BEiPdPKNS_7SobjectEPNS_7TensorXE@Base 1.5 _ZNK7CheMPS24Heff13addDiagonal1CEiPdPKNS_7SobjectEd@Base 1.5 _ZNK7CheMPS24Heff13addDiagonal1DEiPdPKNS_7SobjectEd@Base 1.5 _ZNK7CheMPS24Heff15addDiagram2dallEiPdS1_PKNS_7SobjectE@Base 1.5 _ZNK7CheMPS24Heff17addDiagonal2d3allEiPdPKNS_7SobjectE@Base 1.5 _ZNK7CheMPS24Heff17addDiagram3Aand3DEiPdS1_PKNS_7SobjectEPNS_7TensorQEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff17addDiagram3Band3IEiPdS1_PKNS_7SobjectEPNS_7TensorQEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff17addDiagram3Eand3HEiPdS1_PKNS_7SobjectE@Base 1.5 _ZNK7CheMPS24Heff17addDiagram3Kand3FEiPdS1_PKNS_7SobjectEPNS_7TensorQEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff17addDiagram3Land3GEiPdS1_PKNS_7SobjectEPNS_7TensorQEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff18SolveDAVIDSON_mainEPNS_7SobjectEPPPNS_7TensorLEPPPPNS_7TensorAEPPPPNS_7TensorBEPPPPNS_7TensorCEPPPPNS_7TensorDEPPPPNS_8TensorS0EPPPPNS_8TensorS1EPPPPNS_8TensorF0EPPPPNS_8TensorF1EPPPNS_7TensorQEPPNS_7TensorXEiPPd@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2a1spin0EiPdS1_PKNS_7SobjectEPPPPNS_7TensorAEPPPPNS_8TensorS0ES1_@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2a1spin1EiPdS1_PKNS_7SobjectEPPPPNS_7TensorBEPPPPNS_8TensorS1ES1_@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2a2spin0EiPdS1_PKNS_7SobjectEPPPPNS_7TensorAEPPPPNS_8TensorS0ES1_@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2a2spin1EiPdS1_PKNS_7SobjectEPPPPNS_7TensorBEPPPPNS_8TensorS1ES1_@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2a3spin0EiPdS1_PKNS_7SobjectEPPPPNS_7TensorCEPPPPNS_8TensorF0ES1_@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2a3spin1EiPdS1_PKNS_7SobjectEPPPPNS_7TensorDEPPPPNS_8TensorF1ES1_@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2b3spin0EiPdS1_PKNS_7SobjectEPNS_7TensorCE@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2b3spin1EiPdS1_PKNS_7SobjectEPNS_7TensorDE@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2c3spin0EiPdS1_PKNS_7SobjectEPNS_7TensorCE@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2c3spin1EiPdS1_PKNS_7SobjectEPNS_7TensorDE@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2e3spin0EiPdS1_PKNS_7SobjectEPNS_7TensorCE@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2e3spin1EiPdS1_PKNS_7SobjectEPNS_7TensorDE@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2f3spin0EiPdS1_PKNS_7SobjectEPNS_7TensorCE@Base 1.5 _ZNK7CheMPS24Heff18addDiagram2f3spin1EiPdS1_PKNS_7SobjectEPNS_7TensorDE@Base 1.5 _ZNK7CheMPS24Heff19addDiagonal2a3spin0EiPdPKNS_7SobjectEPPPPNS_7TensorCEPPPPNS_8TensorF0E@Base 1.5 _ZNK7CheMPS24Heff19addDiagonal2a3spin1EiPdPKNS_7SobjectEPPPPNS_7TensorDEPPPPNS_8TensorF1E@Base 1.5 _ZNK7CheMPS24Heff19addDiagonal2b3spin0EiPdPKNS_7SobjectEPNS_7TensorCE@Base 1.5 _ZNK7CheMPS24Heff19addDiagonal2b3spin1EiPdPKNS_7SobjectEPNS_7TensorDE@Base 1.5 _ZNK7CheMPS24Heff19addDiagonal2c3spin0EiPdPKNS_7SobjectEPNS_7TensorCE@Base 1.5 _ZNK7CheMPS24Heff19addDiagonal2c3spin1EiPdPKNS_7SobjectEPNS_7TensorDE@Base 1.5 _ZNK7CheMPS24Heff19addDiagonal2e3spin0EiPdPKNS_7SobjectEPNS_7TensorCE@Base 1.5 _ZNK7CheMPS24Heff19addDiagonal2e3spin1EiPdPKNS_7SobjectEPNS_7TensorDE@Base 1.5 _ZNK7CheMPS24Heff19addDiagonal2f3spin0EiPdPKNS_7SobjectEPNS_7TensorCE@Base 1.5 _ZNK7CheMPS24Heff19addDiagonal2f3spin1EiPdPKNS_7SobjectEPNS_7TensorDE@Base 1.5 _ZNK7CheMPS24Heff19addDiagram2b1and2b2EiPdS1_PKNS_7SobjectEPNS_7TensorAE@Base 1.5 _ZNK7CheMPS24Heff19addDiagram2c1and2c2EiPdS1_PKNS_7SobjectEPNS_7TensorAE@Base 1.5 _ZNK7CheMPS24Heff19addDiagram2e1and2e2EiPdS1_PKNS_7SobjectEPNS_7TensorAE@Base 1.5 _ZNK7CheMPS24Heff19addDiagram2f1and2f2EiPdS1_PKNS_7SobjectEPNS_7TensorAE@Base 1.5 _ZNK7CheMPS24Heff21addDiagramExcitationsEiPdS1_PKNS_7SobjectEiPS1_@Base 1.5 _ZNK7CheMPS24Heff22addDiagonalExcitationsEiPdPKNS_7SobjectEiPS1_@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4A1and4A2spin0EiPdS1_PKNS_7SobjectEPNS_7TensorAE@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4A1and4A2spin1EiPdS1_PKNS_7SobjectEPNS_7TensorBE@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4A3and4A4spin0EiPdS1_PKNS_7SobjectEPNS_7TensorCE@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4A3and4A4spin1EiPdS1_PKNS_7SobjectEPNS_7TensorDE@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4B1and4B2spin0EiPdS1_PKNS_7SobjectEPPPNS_7TensorAEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4B1and4B2spin1EiPdS1_PKNS_7SobjectEPPPNS_7TensorBEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4B3and4B4spin0EiPdS1_PKNS_7SobjectEPPPNS_7TensorCEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4B3and4B4spin1EiPdS1_PKNS_7SobjectEPPPNS_7TensorDEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4C1and4C2spin0EiPdS1_PKNS_7SobjectEPPPNS_7TensorAEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4C1and4C2spin1EiPdS1_PKNS_7SobjectEPPPNS_7TensorBEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4C3and4C4spin0EiPdS1_PKNS_7SobjectEPPPNS_7TensorCEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4C3and4C4spin1EiPdS1_PKNS_7SobjectEPPPNS_7TensorDEPPNS_7TensorLES1_@Base 1.5 _ZNK7CheMPS24Heff24addDiagram4J1and4J2spin0EiPdS1_PKNS_7SobjectEPNS_7TensorAE@Base 1.5 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