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Viewing changes to src/bin/cints/MP2R12/rmp2r12_energy.h

  • Committer: Bazaar Package Importer
  • Author(s): Michael Banck, Michael Banck, Daniel Leidert
  • Date: 2009-02-23 00:12:02 UTC
  • mfrom: (1.1.2 upstream)
  • Revision ID: james.westby@ubuntu.com-20090223001202-rutldoy3dimfpesc
Tags: 3.4.0-1
* New upstream release.

[ Michael Banck ]
* debian/patches/01_DESTDIR.dpatch: Refreshed.
* debian/patches/02_FHS.dpatch: Removed, applied upstream.
* debian/patches/03_debian_docdir: Likewise.
* debian/patches/04_man.dpatch: Likewise.
* debian/patches/06_466828_fix_gcc_43_ftbfs.dpatch: Likewise.
* debian/patches/07_464867_move_executables: Fixed and refreshed.
* debian/patches/00list: Adjusted.
* debian/control: Improved description.
* debian/patches-held: Removed.
* debian/rules (install/psi3): Do not ship the ruby bindings for now.

[ Daniel Leidert ]
* debian/rules: Fix txtdir via DEB_MAKE_INSTALL_TARGET.
* debian/patches/01_DESTDIR.dpatch: Refreshed.

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src/bin/cints/MP2R12/rmp2r12_energy.h
 
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#ifndef _psi_src_bin_cints_MP2R12_rmp2r12_energy_h
 
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#define _psi_src_bin_cints_MP2R12_rmp2r12_energy_h
 
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/*! \file
 
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    \ingroup CINTS
 
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*/
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#define LOCK_RS_SHELL 0      /*--- When updating (js|ia) and (jr|ia) in (JS|IA) lock blocks corresponding to the entire shell
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                               blocks or just the appropriate basis functions (more fine-grained in the second case) ---*/
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namespace psi { namespace CINTS {
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void rmp2r12_energy();
 
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namespace ump2r12_aa{
 
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  void ump2r12_energy_aa();
 
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}
 
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namespace ump2r12_bb{
 
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  void ump2r12_energy_bb();
 
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}
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typedef struct {
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    int num_i_per_ibatch;
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    int ibatch_first;
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    int num_arrived;
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} RMP2R12_Status_t;
 
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};}
 
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#endif