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base repository: filippolipparini/ddPCM
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head repository: PCMSolver/ddPCM
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  • 6 commits
  • 61 files changed
  • 3 contributors

Commits on Mar 31, 2017

  1. Use autocmake for cmake infrastructure (#1) 

    * made code cmake-ready, step 1

* added more autocmake modules

* deleted emacs backup file and added tilde to .gitignore
    @arnfinn @ilfreddy
    arnfinn authored and ilfreddy committed Mar 31, 2017
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Commits on Apr 7, 2017

  1. Testing the ddCOSMO code (#3) 

    * Add more Autocmake modules and refactor example into a test
* Use Fortran 90 version of Lebedev-Laikov integration grid code
The code is taken from John Burkardt's website. Unlike the CCL code,
the scaling of the weights happens _outside_ the grid generation
subroutine, i.e. it now happens in ddcosmo.f90.
We enforce Fortran 2003 compliance _via_ the respective compiler flag.
* Add .travis.yml for CI builds on Travis
* Run the example input as a test and check results with runtest
* Set compiler flags by checking for their availability
    @robertodr @arnfinn
    robertodr authored and arnfinn committed Apr 7, 2017
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  2. fixed a gfortran compiler flag

    @robertodr
    Arnfinn authored and robertodr committed Apr 7, 2017
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  3. Update Travis CI status badge (#6)

    @robertodr @arnfinn
    robertodr authored and arnfinn committed Apr 7, 2017
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  4. moved fortran test code from src to test directory (#8)

    @arnfinn @robertodr
    arnfinn authored and robertodr committed Apr 7, 2017
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  5. Add changelog and contribution guide 

    * Add CONTRIBUTING.md, ISSUE_TEMPLATE.md and PULL_REQUEST_TEMPLATE.md [ci skip]
* Add a CHANGELOG.md
    @robertodr @arnfinn
    robertodr authored and arnfinn committed Apr 7, 2017
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