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Viewing changes to src/lib/chemistry/qc/mbpt/csgrade12.h

  • Committer: Bazaar Package Importer
  • Author(s): Michael Banck
  • Date: 2005-11-27 11:41:49 UTC
  • mfrom: (1.1.2 upstream)
  • Revision ID: james.westby@ubuntu.com-20051127114149-zgz9r3gk50w8ww2q
Tags: 2.3.0-1
* New upstream release.
* debian/rules (SONAME): Activate awk snippet for automatic so-name
  detection again, resulting in a bump to `7' and making a `c2a' for
  the C++ allocator change unnecessary; closes: #339232.
* debian/patches/00list (08_gcc-4.0_fixes): Removed, no longer needed.
* debian/rules (test): Remove workarounds, do not abort build if tests
  fail.
* debian/ref: Removed.
* debian/control.in (libsc): Added Conflict against libsc6c2.

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#include <util/group/memory.h>
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#include <util/group/thread.h>
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#include <chemistry/qc/basis/integral.h>
 
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#include <chemistry/qc/basis/distshpair.h>
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namespace sc {
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    double **scf_vector;
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    int debug;
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    int dynamic_;
 
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    double print_percent_;
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    int usep4_;
 
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    DistShellPair::SharedData *shellpair_shared_data_;
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  public:
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    CSGradErep12Qtr(int mythread_a, int nthread_a,
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                    int me_a, int nproc_a,
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                    int nocc_a,
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                    double **scf_vector_a,
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                    double tol_a, int debug_a,
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                    int dynamic_a, int usep4);
 
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                    int dynamic_a, double print_percent_a,
 
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                    DistShellPair::SharedData *shellpair_shared_data,
 
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                    int usep4);
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    ~CSGradErep12Qtr();
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    void set_i_offset(int ioff) { i_offset = ioff; }