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Commits on Aug 20, 2018

• Merge pull request #1142 from mdav2/rohf_output_fix

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Commits on Aug 1, 2018

• Merge pull request #1075 from raimis/port_libmints

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Commits on Jul 24, 2018

• Merge pull request #1104 from loriab/dfh_printing

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Commits on Jul 20, 2018

• Update dftd3.rst (#1085)

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Commits on May 12, 2018

• Update scf.rst

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Commits on Jan 28, 2018

• Check Hessian with permuted atom ordering

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• Fix diagonal overlap second derivatives

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Commits on Nov 22, 2017

• More rebase fixes

  

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• Fix botched rebase

  

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• Change vector to array in nuc. rep. energy

  

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• Numerous fixes/additions for external fields

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Commits on Aug 31, 2017

• Merge pull request #790 from loriab/aug24

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Commits on Jul 18, 2017

• Require py27 in cmake, update samples

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Commits on Jul 17, 2017

• Merge pull request #756 from loriab/threadjune

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Commits on Jul 15, 2017

• Merge pull request #762 from tyzhang1993/skip_timers

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Commits on Jul 4, 2017

• Merge pull request #754 from dgasmith/codecov_cleanup

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Commits on Jul 3, 2017

• Merge pull request #747 from ashutoshvt/fchk

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Commits on Jun 20, 2017

• Make basisset constructor a static core.so function

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• Add missing header to DFOCC

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• Add missing header to ECPInt

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• Remove pybind from Libmints

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Commits on Jun 19, 2017

• Merge pull request #736 from dgasmith/libxc_ends

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• Merge branch 'master' into libxc_ends

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Commits on Jun 17, 2017

• Add missing headers, increase print buffer

  

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Commits on Jun 13, 2017

• Clarify frozen core vs ECP core

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Commits on Jun 12, 2017

• Removed GaussianShell from Python driver

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• Merge branch 'basisset' of github.com:andysim/psi4 into basisset

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• Make basis set parser allow integer input, with test

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Commits on Jun 9, 2017

• Fix BasisSet header for Linux

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• Move ECP inside BasisSet

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• Merge pull request #735 from jturney/ambit_interface

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Commits on Jun 8, 2017

• Simplify ShellInfo, update scf-occ test

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• Converge scf-occ tighter, so test passes

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Commits on Jun 7, 2017

• Remove references to basisset_parser.h

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• Remove C++ parsing machinery

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