From 6b7bc555971fe8d6569ca9ad4100d11975ac8020 Mon Sep 17 00:00:00 2001 From: cmendl <9061478+cmendl@users.noreply.github.com> Date: Thu, 30 Jul 2026 08:08:53 +0000 Subject: [PATCH 1/4] feat: :card_file_box: add component "ChemTensor" from Issue #157 --- _components/chemtensor.md | 16 ++++++++++++++++ 1 file changed, 16 insertions(+) create mode 100644 _components/chemtensor.md diff --git a/_components/chemtensor.md b/_components/chemtensor.md new file mode 100644 index 0000000..2c15165 --- /dev/null +++ b/_components/chemtensor.md @@ -0,0 +1,16 @@ +--- +title: ChemTensor +languages: + - C + - Python +links: + docs: https://chemtensor.readthedocs.io + github: https://github.com/qc-tum/chemtensor + releases: https://pypi.org/project/chemtensor/ +maintainers: + - TUM-QC +--- + +**ChemTensor** is a implementation of tensor network algorithms tailored for chemical systems. It is written in C, offering a Python 3 interface for more straightforward accessibility. + +Features include representation of common Hamiltonians as MPOs (including molecular Hamiltonians), tree tensor network topologies, general MPO and TTNO construction with optimized bond dimensions from a list of operator chains, U(1) and SU(2) symmetries, single- and two-site DMRG algorithm, tensor hypercontraction form of molecular Hamiltonians, Basis-Update and Galerkin (BUG) rank-adaptive time integration. From 3cf7495bdef34550a45cdbf847e902d9705fbde0 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu, 30 Jul 2026 08:09:04 +0000 Subject: [PATCH 2/4] =?UTF-8?q?=F0=9F=8E=A8=20pre-commit=20fixes?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- _components/chemtensor.md | 9 +++++++-- 1 file changed, 7 insertions(+), 2 deletions(-) diff --git a/_components/chemtensor.md b/_components/chemtensor.md index 2c15165..3cc2d55 100644 --- a/_components/chemtensor.md +++ b/_components/chemtensor.md @@ -11,6 +11,11 @@ maintainers: - TUM-QC --- -**ChemTensor** is a implementation of tensor network algorithms tailored for chemical systems. It is written in C, offering a Python 3 interface for more straightforward accessibility. +**ChemTensor** is a implementation of tensor network algorithms tailored for chemical systems. It is +written in C, offering a Python 3 interface for more straightforward accessibility. -Features include representation of common Hamiltonians as MPOs (including molecular Hamiltonians), tree tensor network topologies, general MPO and TTNO construction with optimized bond dimensions from a list of operator chains, U(1) and SU(2) symmetries, single- and two-site DMRG algorithm, tensor hypercontraction form of molecular Hamiltonians, Basis-Update and Galerkin (BUG) rank-adaptive time integration. +Features include representation of common Hamiltonians as MPOs (including molecular Hamiltonians), +tree tensor network topologies, general MPO and TTNO construction with optimized bond dimensions +from a list of operator chains, U(1) and SU(2) symmetries, single- and two-site DMRG algorithm, +tensor hypercontraction form of molecular Hamiltonians, Basis-Update and Galerkin (BUG) +rank-adaptive time integration. From 91d8d64f1667c5ee4f085f2926cd3995cd7b01f5 Mon Sep 17 00:00:00 2001 From: Damian Rovara <93778306+DRovara@users.noreply.github.com> Date: Thu, 13 Aug 2026 10:23:23 +0200 Subject: [PATCH 3/4] update summary Signed-off-by: Damian Rovara <93778306+DRovara@users.noreply.github.com> --- _components/chemtensor.md | 12 ++++-------- 1 file changed, 4 insertions(+), 8 deletions(-) diff --git a/_components/chemtensor.md b/_components/chemtensor.md index 3cc2d55..3978e90 100644 --- a/_components/chemtensor.md +++ b/_components/chemtensor.md @@ -11,11 +11,7 @@ maintainers: - TUM-QC --- -**ChemTensor** is a implementation of tensor network algorithms tailored for chemical systems. It is -written in C, offering a Python 3 interface for more straightforward accessibility. - -Features include representation of common Hamiltonians as MPOs (including molecular Hamiltonians), -tree tensor network topologies, general MPO and TTNO construction with optimized bond dimensions -from a list of operator chains, U(1) and SU(2) symmetries, single- and two-site DMRG algorithm, -tensor hypercontraction form of molecular Hamiltonians, Basis-Update and Galerkin (BUG) -rank-adaptive time integration. +An implementation of tensor network algorithms tailored for chemical systems, +written in C and offering a Python interface. It features chain and tree topologies, +general MPO and TTNO construction with optimized bond dimensions, abelian and non-abelian +symmetries, the tensor hypercontraction form of molecular Hamiltonians, and the DMRG and BUG algorithms. From 7517ce426d01c87b84e9165d536a12b229140a2e Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu, 13 Aug 2026 08:23:34 +0000 Subject: [PATCH 4/4] =?UTF-8?q?=F0=9F=8E=A8=20pre-commit=20fixes?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- _components/chemtensor.md | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/_components/chemtensor.md b/_components/chemtensor.md index 3978e90..17e4807 100644 --- a/_components/chemtensor.md +++ b/_components/chemtensor.md @@ -11,7 +11,7 @@ maintainers: - TUM-QC --- -An implementation of tensor network algorithms tailored for chemical systems, -written in C and offering a Python interface. It features chain and tree topologies, -general MPO and TTNO construction with optimized bond dimensions, abelian and non-abelian -symmetries, the tensor hypercontraction form of molecular Hamiltonians, and the DMRG and BUG algorithms. +An implementation of tensor network algorithms tailored for chemical systems, written in C and +offering a Python interface. It features chain and tree topologies, general MPO and TTNO +construction with optimized bond dimensions, abelian and non-abelian symmetries, the tensor +hypercontraction form of molecular Hamiltonians, and the DMRG and BUG algorithms.