← Back to branch summary

~ubuntu-branches/ubuntu/trusty/nwchem/trusty-proposed

« back to all changes in this revision

Viewing changes to src/tools/ga-5-1/ma/maf2c.fh

  • Committer: Package Import Robot
  • Author(s): Michael Banck, Daniel Leidert, Andreas Tille, Michael Banck
  • Date: 2013-07-04 12:14:55 UTC
  • mfrom: (1.1.2)
  • Revision ID: package-import@ubuntu.com-20130704121455-5tvsx2qabor3nrui
Tags: 6.3-1
http://bugs.debian.org/696361
* New upstream release.
* Fixes anisotropic properties (Closes: #696361).
* New features include:
  + Multi-reference coupled cluster (MRCC) approaches
  + Hybrid DFT calculations with short-range HF 
  + New density-functionals including Minnesota (M08, M11) and HSE hybrid
    functionals
  + X-ray absorption spectroscopy (XAS) with TDDFT
  + Analytical gradients for the COSMO solvation model
  + Transition densities from TDDFT 
  + DFT+U and Electron-Transfer (ET) methods for plane wave calculations
  + Exploitation of space group symmetry in plane wave geometry optimizations
  + Local density of states (LDOS) collective variable added to Metadynamics
  + Various new XC functionals added for plane wave calculations, including
    hybrid and range-corrected ones
  + Electric field gradients with relativistic corrections 
  + Nudged Elastic Band optimization method
  + Updated basis sets and ECPs 

[ Daniel Leidert ]
* debian/watch: Fixed.

[ Andreas Tille ]
* debian/upstream: References

[ Michael Banck ]
* debian/upstream (Name): New field.
* debian/patches/02_makefile_flags.patch: Refreshed.
* debian/patches/06_statfs_kfreebsd.patch: Likewise.
* debian/patches/07_ga_target_force_linux.patch: Likewise.
* debian/patches/05_avoid_inline_assembler.patch: Removed, no longer needed.
* debian/patches/09_backported_6.1.1_fixes.patch: Likewise.
* debian/control (Build-Depends): Added gfortran-4.7 and gcc-4.7.
* debian/patches/10_force_gcc-4.7.patch: New patch, explicitly sets
  gfortran-4.7 and gcc-4.7, fixes test suite hang with gcc-4.8 (Closes:
  #701328, #713262).
* debian/testsuite: Added tests for COSMO analytical gradients and MRCC.
* debian/rules (MRCC_METHODS): New variable, required to enable MRCC methods.

Show diffs side-by-side

added added

removed removed

Lines of Context:
src/tools/ga-5-1/ma/maf2c.fh
1
 
#ifndef _maf2c_fh
2
 
#define _maf2c_fh
3
 
 
4
 
c
5
 
c     $Id: maf2c.fh,v 1.6 2002-09-14 05:40:30 d3g001 Exp $
6
 
c
7
 
 
8
 
c
9
 
c     Private header file containing FORTRAN type declarations for the
10
 
c     C wrapper routines.
11
 
c
12
 
c     This file should only be included by internal FORTRAN files.
13
 
c
14
 
 
15
 
c
16
 
c     The guard ends here instead of at the end of the file because we
17
 
c     need the declarations (stuff below) to be defined each time this file
18
 
c     is included by a FORTRAN file.
19
 
c
20
 
 
21
 
#endif /* _maf2c_fh */
22
 
 
23
 
c
24
 
c     function types
25
 
c
26
 
 
27
 
      integer f2c_alloc_get
28
 
      integer f2c_allocate_heap
29
 
      integer f2c_chop_stack
30
 
      integer f2c_free_heap
31
 
      integer f2c_free_heap_piece
32
 
      integer f2c_get_index
33
 
      integer f2c_get_next_memhandle
34
 
      integer f2c_get_numalign
35
 
      integer f2c_inform_base
36
 
      integer f2c_init
37
 
      integer f2c_initialized
38
 
      integer f2c_init_memhandle_iterator
39
 
      integer f2c_inquire_avail
40
 
      integer f2c_inquire_heap
41
 
      integer f2c_inquire_heap_check_stack
42
 
      integer f2c_inquire_heap_no_partition
43
 
      integer f2c_inquire_stack
44
 
      integer f2c_inquire_stack_check_heap
45
 
      integer f2c_inquire_stack_no_partition
46
 
      integer f2c_pop_stack
47
 
c     void f2c_print_stats
48
 
      integer f2c_push_get
49
 
      integer f2c_push_stack
50
 
      integer f2c_set_auto_verify
51
 
      integer f2c_set_error_print
52
 
      integer f2c_set_hard_fail
53
 
      integer f2c_set_numalign
54
 
      integer f2c_sizeof
55
 
      integer f2c_sizeof_overhead
56
 
c     void f2c_summarize_allocated_blocks
57
 
c     void f2c_trace
58
 
      integer f2c_verify_allocator_stuff
59
 
 
60
 
      external f2c_alloc_get
61
 
      external f2c_allocate_heap
62
 
      external f2c_chop_stack
63
 
      external f2c_free_heap
64
 
      external f2c_free_heap_piece
65
 
      external f2c_get_index
66
 
      external f2c_get_next_memhandle
67
 
      external f2c_get_numalign
68
 
      external f2c_inform_base
69
 
      external f2c_init
70
 
      external f2c_initialized
71
 
      external f2c_init_memhandle_iterator
72
 
      external f2c_inquire_avail
73
 
      external f2c_inquire_heap
74
 
      external f2c_inquire_heap_check_stack
75
 
      external f2c_inquire_heap_no_partition
76
 
      external f2c_inquire_stack
77
 
      external f2c_inquire_stack_check_heap
78
 
      external f2c_inquire_stack_no_partition
79
 
      external f2c_pop_stack
80
 
      external f2c_print_stats
81
 
      external f2c_push_get
82
 
      external f2c_push_stack
83
 
      external f2c_set_auto_verify
84
 
      external f2c_set_error_print
85
 
      external f2c_set_hard_fail
86
 
      external f2c_set_numalign
87
 
      external f2c_sizeof
88
 
      external f2c_sizeof_overhead
89
 
      external f2c_summarize_allocated_blocks
90
 
      external f2c_trace
91
 
      external f2c_verify_allocator_stuff