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GitHub / codebyharjeet / DUCC
A python package to run double unitary coupled cluster (DUCC) calculations.
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/codebyharjeet%2FDUCC
Stars: 1
Forks: 0
Open Issues: 0
License: mit
Language: Jupyter Notebook
Repo Size: 687 KB
Dependencies:
71
Created: 12 months ago
Updated: 24 days ago
Last pushed: 24 days ago
Last synced: 24 days ago
Files
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Dependencies
.github/workflows/CI.yaml
actions
- actions/checkout v3 composite
- codecov/codecov-action v1 composite
- mamba-org/provision-with-micromamba main composite
pyproject.toml
pypi
requirements.txt
pypi
- blas =2.121=openblas
- blas-devel =3.9.0=21_osx64_openblas
- bzip2 =1.0.8=h10d778d_5
- ca-certificates =2024.2.2=h8857fd0_0
- cctools =973.0.1=h5b2de21_16
- cctools_osx-64 =973.0.1=h031c385_16
- clang =17.0.6=hac416ee_2
- clang-17 =17.0.6=default_h6b1ee41_2
- clang_impl_osx-64 =17.0.6=h1af8efd_9
- clang_osx-64 =17.0.6=hb91bd55_9
- clangxx =17.0.6=default_h6b1ee41_2
- colorama =0.4.6=pyhd8ed1ab_0
- compiler-rt =17.0.6=ha38d28d_1
- compiler-rt_osx-64 =17.0.6=ha38d28d_1
- exceptiongroup =1.2.0=pyhd8ed1ab_2
- gfortran =13.2.0=h2c809b3_1
- gfortran_impl_osx-64 =13.2.0=h7643cbd_1
- gfortran_osx-64 =13.2.0=h18f7dce_1
- gmp =6.3.0=h93d8f39_0
- icu =73.2=hf5e326d_0
- iniconfig =2.0.0=pyhd8ed1ab_0
- isl =0.25=hb486fe8_0
- ld64 =609=h0a3eb4e_16
- ld64_osx-64 =609=hd3532be_16
- libblas =3.9.0=21_osx64_openblas
- libcblas =3.9.0=21_osx64_openblas
- libclang-cpp17 =17.0.6=default_h6b1ee41_2
- libcxx =16.0.6=hd57cbcb_0
- libexpat =2.5.0=hf0c8a7f_1
- libffi =3.4.2=h0d85af4_5
- libgfortran =5.0.0=13_2_0_h97931a8_2
- libgfortran-devel_osx-64 =13.2.0=h80d4556_2
- libgfortran5 =13.2.0=h2873a65_2
- libiconv =1.17=hd75f5a5_2
- liblapack =3.9.0=21_osx64_openblas
- liblapacke =3.9.0=21_osx64_openblas
- libllvm17 =17.0.6=hbedff68_1
- libopenblas =0.3.26=openmp_hfef2a42_0
- libsqlite =3.44.2=h92b6c6a_0
- libxml2 =2.12.5=hc0ae0f7_0
- libzlib =1.2.13=h8a1eda9_5
- llvm-openmp =17.0.6=hb6ac08f_0
- llvm-tools =17.0.6=hbedff68_1
- mpc =1.3.1=h81bd1dd_0
- mpfr =4.2.1=h0c69b56_0
- ncurses =6.4=h93d8f39_2
- numpy =1.26.3=py310hf6dca73_0
- numpy-base =1.26.3=py310hd8f4981_0
- openblas =0.3.26=openmp_h6794695_0
- openssl =3.2.1=hd75f5a5_0
- packaging =23.2=pyhd8ed1ab_0
- pip =24.0=pyhd8ed1ab_0
- pluggy =1.4.0=pyhd8ed1ab_0
- pyscf =2.5.0=pypi_0
- pytest =8.0.0=pyhd8ed1ab_0
- python =3.10.13=h00d2728_1_cpython
- readline =8.2=h9e318b2_1
- scipy =1.11.4=py310ha516a68_0
- setuptools =69.0.3=pyhd8ed1ab_0
- sigtool =0.1.3=h88f4db0_0
- tapi =1100.0.11=h9ce4665_0
- tk =8.6.13=h1abcd95_1
- tomli =2.0.1=pyhd8ed1ab_0
- tzdata =2024a=h0c530f3_0
- wheel =0.42.0=pyhd8ed1ab_0
- xz =5.2.6=h775f41a_0
- zlib =1.2.13=h8a1eda9_5
- zstd =1.5.5=h829000d_0