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Commits on Jul 3, 2019
- Implement the SAD natural orbitals guess (doi:10.1021/acs.jctc.8b01089). (#1672)
  
  susilehtola
  and
  andysim
  committed
  6e67529
- Merge pull request #1674 from loriab/pytest5
  dgasmith
  authored
  c9b6ab2
- fix error string checking for pytest 5
  loriab
  committed
  c55ecf6
Commits on Jun 26, 2019
- Use in-core algorithm in MemDFJK (#1667)
  
  susilehtola
  authored and
  andysim
  committed
  fb708f6
- Merge pull request #1671 from maxscheurer/speedup_el 8000 ecfield
  dgasmith
  authored
  a850d66
- do not set field to zero
  maxscheurer
  committed
  cbb3a2d
Commits on Jun 25, 2019
- Default cutoffs should be same (#1542)
  
  susilehtola
  authored and
  robertodr
  committed
  d4681c9
- added documentation, zero out field vector, not zeroing operator matrix
  maxscheurer
  committed
  393acca
Commits on Jun 24, 2019
- added test, some minor code improvements
  maxscheurer
  committed
  9617ca6
- Document code style and pre-commit hooks (#1594)
  
  robertodr
  authored and
  loriab
  committed
  6949cc4
Commits on Jun 21, 2019
- remove unused code
  maxscheurer
  committed
  b61a16b
- experimenting with electrifields
  maxscheurer
  committed
  69b086f
Commits on Jun 20, 2019
- Merge pull request #1665 from susilehtola/sap
  dgasmith
  authored
  7fb7634
- Merge pull request #1670 from loriab/domfisaptd
  dgasmith
  authored
  10153ec
- @dsirianni fisapt-d
  loriab
  committed
  40a1e05
- Improved documentation of SAP and HUCKEL.
  susilehtola
  committed
  cee7eeb
- Update scf-guess test reference output.
  susilehtola
  committed
  fa82a92
- Address LGTM warnings in matrix.cc
  susilehtola
  committed
  b556e4d
- Prettier printout for SAP guess
  susilehtola
  committed
  7270bba
- Missed the part where the potential is actually incremented.
  susilehtola
  committed
  8afacac
- Missing initialization
  susilehtola
  committed
  81ca5b4
- Need to initialize number of functions and symmetry transform, too
  susilehtola
  committed
  eb105a2
- Implement size check in Matrix add and substract
  susilehtola
  committed
  9dd5a31
- Needed a new points class as well since there's no density involved.
  susilehtola
  committed
  18cb206
- Review fixes.
  susilehtola
  committed
  8e5142f
- Test SAP guess
  susilehtola
  committed
  754afb5
- Fix Ansätze for SAP
  susilehtola
  committed
  93e03f7
- Some compile fixes.
  susilehtola
  committed
  1e345dc
- Work towards SAP guess.
  susilehtola
  committed
  c912e6d
Commits on Jun 19, 2019
- relax grid point checking near machine epsilon (#1668)
  loriab
  authored
  a6305a1
Commits on Jun 18, 2019
- mp2-d gradients (#1661)
  loriab
  authored
  d319c0f
Commits on Jun 12, 2019
- Merge pull request #1663 from JonathonMisiewicz/ircfix
  Peter Kraus
  authored
  033d1e5
Commits on Jun 11, 2019
- Correct comment
  JonathonMisiewicz
  committed
  f05c2b5
- Fisapt extern (#1608)
  
  chapincavender
  authored and
  andysim
  committed
  41f824c
Commits on Jun 10, 2019
- Computing multipole potential integrals up to desired order (#1657)
  
  maxscheurer
  authored and
  robertodr
  committed
  d6b9d6a

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Commits on Jul 3, 2019

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Commits on Jun 10, 2019