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Commits on Feb 25, 2015

• update fci module, remove the redundant direct_ms0 module

  sunqm

  committed
  86eb450

Commits on Feb 17, 2015

• Merge branch '0.10'

  sunqm

  committed
  809d8e7

• fix cistring bug when norb > 32

  sunqm

  committed
  ff379d7

Commits on Feb 13, 2015

• fix bug in 2pdm "reorder"

  sunqm

  committed
  3098e96

• flag to control fci rdm2 format

  sunqm

  committed
  baef72b

Commits on Feb 4, 2015

• flag "davidson_only" to turn off FCI direct diagonalization

  sunqm

  committed
  463efdb

Commits on Jan 29, 2015

• Optimize 4-pdm; Add density fitting DHF

  sunqm

  committed
  e0a48aa

Commits on Jan 26, 2015

• optimize fci rdm, add fci 4-pdm

  sunqm

  committed
  04f6f52

Commits on Jan 22, 2015

• fix bug in the return value of mcscf project_init_guess

  sunqm

  committed
  025fab5

Commits on Jan 19, 2015

• Update the density fitting module; update class._keys

  sunqm

  committed
  3f438c5

Commits on Jan 15, 2015

• improve density fitting for scf

  sunqm

  committed
  9ba4086

Commits on Jan 14, 2015

• Refactoring and adding tests

  Show description for f221383
  sunqm

  committed
  f221383

Commits on Jan 7, 2015

• spin square for FCI wfn

  sunqm

  committed
  6bf7a68

Commits on Jan 5, 2015

• update fci data structure

  sunqm

  committed
  7aab4c7

Commits on Dec 25, 2014

• Solve Python 3.x compatibility

  sunqm

  committed
  5c8e64e

Commits on Dec 21, 2014

• update examples, add uhf-mcscf examples

  sunqm

  committed
  a164c2d

• fix potential bugs due to non-contiguous memory

  sunqm

  committed
  1795a9b

Commits on Dec 18, 2014

• define load_library to mimic the ctypeslib.load_library

  sunqm

  committed
  3e600d9

• fix bug in fci_rdm

  sunqm

  committed
  ba8a142

Commits on Dec 17, 2014

• add missing file

  sunqm

  committed
  6c9fe71

• fix bug in fci rdm

  sunqm

  committed
  beca00b

Commits on Dec 2, 2014

• refactoring and bug fix

  Show description for 855c848
  sunqm

  committed
  855c848

Commits on Nov 21, 2014

• add fci.solver.dump_flags, fix spelling error

  sunqm

  committed
  ecadecd

Commits on Nov 20, 2014

• update fcisolver struct, fix bug in symm adapted basis

  sunqm

  committed
  5fd435a

• Add symmetry support for mcscf

  sunqm

  committed
  8682c09

Commits on Nov 17, 2014

• Support OS X

  sunqm

  committed
  0eee53e

Commits on Nov 16, 2014

• All the fci codes now have an additional keyword argument fciRestart. This is to make them compatible with DMRG runs

  

  Sandeep Sharma

  committed
  32bd24f

Commits on Nov 15, 2014

• support mcscf triplet

  sunqm

  committed
  e67ea31

Commits on Nov 13, 2014

• fix bug in mcscf.save_mo_coeff

  sunqm

  committed
  6dc96e1

Commits on Nov 12, 2014

• add mcscf, cc, more fci solver

  sunqm

  committed
  e760e83

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