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Commits on Aug 24, 2018

• Merge pull request #1140 from obrien951/fisapt_dfh_inits

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• Update fisapt.h

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Commits on Aug 13, 2018

• qcdb: fix new alignment for cfour when ghosts present

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Commits on Aug 10, 2018

• qcdb: switch from OrientMols to B787 p4c4 geom reconciliation

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Commits on Aug 8, 2018

• Merge pull request #1127 from timostrunk/expose_Fa_subset

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Commits on Aug 5, 2018

• DOC: misc build, psirc, compiler doc updates. py27-->py35 min

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• EFP: conceal global pylibefp variables. fix DF_BASIS_CC error JM spotted in forum1009

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• Cfour: backport from GH:qcdb/qcdb cfour parsing, new Molecule work, fix v1 parsing, DROPMO

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Commits on Aug 4, 2018

• CMake: elaborate how to handle error `Could NOT find MathOpenMP (missing: MathOpenMP_MESSAGE)`, fixes psi4/psi4#1118

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Commits on Aug 3, 2018

• Mol: fill in Molecule docstrings I wrote last summer

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• Fix spelling errors identified by Debian

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• Allows overwriting of indir/*sapt/ dirs for FISAPT

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• Cube: removes libfilesystem for cubeprop (still present for cubicscalargrid)

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• SAPT: makes sSAPT_SCALE and FISAPT_FsSAPT_FILEPATH uppercase

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• SAPT: moves filesys operations in fisapt py-side (except cubeprop-related)

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• FISAPT: move driver py-side

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Commits on Aug 2, 2018

• SCF: add header guard for pylibefp and rm unused form_F

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• SCF: edits after reviews

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• SCF: not sure about max_attempts

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• SCF: bump pylibefp to 0.3+, remove molecule.py duplicates

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• SCF: fix up SCF_TYPE, license, efp linking and vars, remove unused header

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• SCF: df --> is_dfjk, in dir( --> hasattr

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• SCF: fix up efp opt name changes and vv10 after scfitertopy rebase atop v1.2

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• Rebase cleanup

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• Mol: fix qcdb pytest for py27. json-safe molrec

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• Mol: py2 fixes. allow xyz in psi4.geometry()

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• CI: turn stuff back on

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• EFP: globalizes the right places

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• PCM: more disabling

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• PCM: allow to build w/o PCMSolver

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• Mol: Delete stuff! mostly constructors, also *_specified_ memdata

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• Mol: Sort out constructors for Mol. transparent dtype

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• Mol: testing

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• Mol: qcvz extension py-side (allow var & zmat)

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• MOL: pyvz extenstion so zmat/variable input back in business

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