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Commits on Aug 24, 2018
  1. Merge branch 'master' of https://github.com/m-a-d-n-e-s-s/madness

    evaleev committed Aug 24, 2018
    * 'master' of https://github.com/m-a-d-n-e-s-s/madness:
      amended b898e74
      RMI::begin takes an intracomm to be able to madness::initialize in a subset of nodes
Commits on Aug 22, 2018
  1. Merge pull request #292 from m-a-d-n-e-s-s/pr-20180820-ev1

    evaleev committed Aug 22, 2018
    RMI::begin takes an intracomm …
Commits on Aug 21, 2018
  1. Merge branch 'master' of /Users/evaleev/code/madness

    evaleev committed Aug 21, 2018
    * 'master' of /Users/evaleev/code/madness:
      WorldAmInterface::send: avoid new, push_back->emplace_back
      Added the polar decomposition inside the get_fock() routine.
      Forgot a ;
      Replaced Robert's quadratically convergent unitary rotation by exponentiating the antisymmtetric part of a matrix algorithm with the exact polar decomposition.
Commits on Aug 20, 2018
  1. amended b898e74

    evaleev committed Aug 20, 2018
  2. RMI::begin takes an intracomm to be able to madness::initialize in a …

    evaleev committed Aug 20, 2018
    …subset of nodes
Commits on Jul 16, 2018
  1. Merge branch 'master' of https://github.com/m-a-d-n-e-s-s/madness

    evaleev committed Jul 16, 2018
    * 'master' of https://github.com/m-a-d-n-e-s-s/madness:
      minor cleanup to trigger CI test
      removed unnecessary nuclear correlation factors
      fixed compilation error
      fixed build error
      introducing new nuclear correlation factors with vanishing moments
      cleaning up nemo
  2. dox

    evaleev committed Jul 16, 2018
Commits on Jun 27, 2018
  1. Merge pull request #286 from m-a-d-n-e-s-s/pr-06262018-ev1

    evaleev committed Jun 27, 2018
    made processing of LAPACK_LIBRARIES more robust
Commits on Jun 26, 2018
  1. also process LAPACK compiler options etc.

    evaleev committed Jun 26, 2018
  2. made processing of LAPACK_LIBRARIES more robust

    evaleev committed Jun 26, 2018
Commits on Jun 8, 2018
Commits on May 31, 2018
Commits on May 30, 2018
  1. Merge pull request #283 from ValeevGroup/master

    evaleev committed May 30, 2018
    Sketch of adjustments to clapack.h to allow integration with codes using {mkl_}lapacke.h
  2. updated toolchains to provide "new" LAPACK variables

    evaleev committed May 30, 2018
Commits on May 24, 2018
  1. more updates (note the use on non-MKL names)

    evaleev committed May 24, 2018
  2. Sketch of adjustments to clapack.h to allow integration with codes us…

    evaleev committed May 24, 2018
    …ing {mkl_}lapacke.h
  3. Merge branch 'master' of https://github.com/m-a-d-n-e-s-s/madness

    evaleev committed May 24, 2018
    * 'master' of https://github.com/m-a-d-n-e-s-s/madness:
      fixed the problem with libraries being repeated and not correctly included in start/end group
      lib64 path for PCM
      CMake now knows PCM
      corrected output of CC2 code
      No numerical error in 6D operator application (i.e when GENTENSOR is used)
      no exchange intermediate for pure dft calculations, reactivated pcm solver
  4. typo [skip ci]

    evaleev committed May 24, 2018
Commits on May 13, 2018
  1. amended 99aea9a

    evaleev committed May 13, 2018
Commits on May 1, 2018
  1. providing automatic serializability to/fro streams only makes sense i…

    evaleev committed May 1, 2018
    …f type's streamability is bidirectional.
Commits on Apr 19, 2018
Commits on Apr 2, 2018
  1. Merge branch 'master' of https://github.com/m-a-d-n-e-s-s/madness

    evaleev committed Apr 2, 2018
    * 'master' of https://github.com/m-a-d-n-e-s-s/madness:
      ThreadPool will delete threads in destructor
      RmiTask: avoid leak of buffer
Commits on Mar 29, 2018
  1. Merge pull request #276 from pchong90/master

    evaleev committed Mar 29, 2018
    RmiTask: avoid leak of buffer
Commits on Mar 15, 2018
  1. Merge branch 'master' of https://github.com/m-a-d-n-e-s-s/madness

    evaleev committed Mar 15, 2018
    * 'master' of https://github.com/m-a-d-n-e-s-s/madness:
      constness of future should not matter when unwrapping
      Future<T>* can be used as an argument to WorldTaskQueue::add. Useful scenario: I want to use local futures (that refer to either for purely local data or refer to remote data but are cached locally), I manage their lifetime, and want to avoid unnecessary copying
  2. generalized serialization of std::vector and std::map to accept conta…

    evaleev committed Mar 15, 2018
    …iners parametrized by nonstandard allocator and comparer
Commits on Mar 7, 2018
  1. Future<T>* can be used as an argument to WorldTaskQueue::add. Useful …

    evaleev authored and robertjharrison committed Mar 1, 2018
    …scenario: I want to use local futures (that refer to either for purely local data or refer to remote data but are cached locally), I manage their lifetime, and want to avoid unnecessary copying
Commits on Mar 1, 2018
  1. Merge branch 'futureptr-as-task-args'

    evaleev committed Mar 1, 2018
    * futureptr-as-task-args:
      constness of future should not matter when unwrapping
      Future<T>* can be used as an argument to WorldTaskQueue::add. Useful scenario: I want to use local futures (that refer to either for purely local data or refer to remote data but are cached locally), I manage their lifetime, and want to avoid unnecessary copying
  2. constness of future should not matter when unwrapping

    evaleev committed Mar 1, 2018