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Commits on Jun 25, 2021

• Update psi4/driver/procrouting/response/scf_response.py

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Commits on Jul 8, 2020

• TDDFT (#1814)

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Commits on Jun 24, 2019

• Document code style and pre-commit hooks (#1594)

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Commits on Apr 20, 2019

• Fix printout of fort.56 file for MRCC

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Commits on Apr 18, 2019

• Keep implementation of subtract in Vector

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Commits on Apr 10, 2019

• Revert changes to cmake/math/MathLibs.cmake

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• Miscellaneous auto-izing, linalg namespacing

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• Minor CMake nits

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• Use pybind11_add_module macro

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• Uncontroversial changes from the xtensor branch

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Commits on Feb 16, 2019

• Use before_cache to solve caching troubles on Travis (#1536)

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  dgasmith

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Commits on Jan 23, 2019

• Free some functions in Vector and Matrix classes (#1447)

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Commits on Dec 27, 2018

• Use literals for arguments in pybind11 bindings (#1448)

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Commits on Dec 7, 2018

• Use wfn.variable

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• Add tests for PCM-ROHF

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Commits on Dec 5, 2018

• Remove use of raw pointer buffers for ERIs

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• Adjust ERI holder and buffer

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• Check if Conda env already available

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• Remove use of raw buffer

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Commits on Dec 4, 2018

• Revert brace-init of next_DF_

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• Deactivate Conda env before removing

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• Additional clean up in SAPT

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• Remove Conda env once done

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• Set policy for IN_LIST

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Commits on Dec 3, 2018

• Pass Python interpreter to CMake correctly

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• Put Miniconda on PATH

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• Modify miniconda.sh script following MolSSI sample

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• Move to Xenial on Travis, cache Miniconda

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• Require C++14 at least

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Commits on Nov 21, 2018

• Light CMake clean-up (#1358)

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  loriab

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Commits on Nov 3, 2018

• Replace calls to deprecated LAPACK subroutines (#1314)

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  andysim

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Commits on Nov 2, 2018

• Fix typo

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• Add blurb describing override

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  andysim

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• clang-tidy apply modernize-use-override fixes

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Commits on Oct 31, 2018

• clang-tidy apply modernize-use-noexcept fixes

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