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Viewing changes to src/tools/ga-5-2/ma/man/man3/MA_set_hard_fail.3

  • 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.

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src/tools/ga-5-2/ma/man/man3/MA_set_hard_fail.3
 
1
.TH MA_SET_HARD_FAIL 3 "20 February 1997" "MA Release 1.8" "MA LIBRARY ROUTINES"
 
2
.SH NAME
 
3
MA_set_hard_fail -
 
4
set the ma_hard_fail flag
 
5
.SH "C SYNOPSIS"
 
6
.nf
 
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#include "macdecls.h"
 
8
 
 
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Boolean MA_set_hard_fail(value)
 
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    Boolean     value;          /* read-only */
 
11
.fi
 
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.SH "FORTRAN SYNOPSIS"
 
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.nf
 
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#include "mafdecls.fh"
 
15
 
 
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logical function MA_set_hard_fail(value)
 
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    logical     value
 
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.fi
 
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.SH DESCRIPTION
 
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MA_set_hard_fail() sets the ma_hard_fail flag to
 
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.I value
 
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and returns the flag's previous value.
 
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If the ma_hard_fail flag is true,
 
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then any error detected by MA
 
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(including those normally considered nonfatal)
 
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causes program termination.
 
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The ma_hard_fail flag is initially false.
 
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.\" .SH USAGE
 
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.\" .SH DIAGNOSTICS
 
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.SH "RETURN VALUE"
 
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C: The previous value of the ma_hard_fail flag
 
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(MA_TRUE or MA_FALSE).
 
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.br
 
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FORTRAN: The previous value of the ma_hard_fail flag
 
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(.true. or .false.).
 
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.\" .SH NOTES
 
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.SH FILES
 
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.nf
 
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Include files: /msrc/proj/hpctools/ma/release/current/include
 
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Library:       /msrc/proj/hpctools/ma/release/current/lib/\fIplatform\fR/libma.a
 
41
Man pages:     /msrc/proj/hpctools/ma/release/current/man/man3
 
42
Source code:   /msrc/proj/hpctools/ma/release/current/tar/ma\fIrelease\fR.tar
 
43
.fi
 
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.SH "SEE ALSO"
 
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.na
 
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MA(3),
 
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MA_set_auto_verify(3),
 
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MA_set_error_print(3)
 
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.ad
 
50
.SH AUTHOR
 
51
Gregory S. Thomas, Pacific Northwest National Laboratory