~ubuntu-branches/ubuntu/quantal/psicode/quantal

« back to all changes in this revision

Viewing changes to src/bin/intder/intco.cc

  • 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.

Show diffs side-by-side

added added

removed removed

Lines of Context:
 
1
/*! \file
 
2
    \ingroup INTDER
 
3
    \brief Enter brief description of file here 
 
4
*/
1
5
#include "intco.h"
2
6
#include "params.h"
3
7
#include "displacements.h"
6
10
#define EXTERN
7
11
#include "globals.h"
8
12
 
9
 
#include <stdio.h>
10
 
#include <stdlib.h>
11
 
#include <math.h>
12
 
 
13
 
extern "C" {
14
 
  #include <libciomr/libciomr.h>
15
 
  #include <libipv1/ip_lib.h>
16
 
  #include <libpsio/psio.h>
17
 
  #include <physconst.h>
18
 
  #include <psifiles.h>
19
 
 
20
 
//  extern FILE *outfile;
21
 
};
22
 
 
 
13
#include <cstdio>
 
14
#include <cstdlib>
 
15
#include <cmath>
 
16
 
 
17
#include <libciomr/libciomr.h>
 
18
#include <libipv1/ip_lib.h>
 
19
#include <libpsio/psio.h>
 
20
#include <physconst.h>
 
21
#include <psifiles.h>
 
22
 
 
23
using namespace psi::intder;
 
24
 
 
25
namespace psi { namespace intder {
23
26
extern InternalCoordinates gIntCo;
24
27
extern Params gParams;
25
28
extern Displacements gDisplacements;
26
29
extern BMat gBMat;
 
30
}}
27
31
 
28
32
void InternalCoordinate::printInfo()
29
33
{