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Fix RelWithDebInfo name bugs, and use full optimization.
2010-08-22
Erik Lindahl
Fixed stupid mistake where a statement was placed before...
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2010-08-22
Erik Lindahl
Replaced testing of git version with testing for features
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2010-08-22
Erik Lindahl
Fixed naming problems for double precision Fortran...
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2010-08-22
Erik Lindahl
Fixed a typo in futil.h
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2010-08-22
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Cleaned up all installed headers to remove strict dependence...
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2010-08-22
Erik Lindahl
Removed some unnecessary #ifdefs from string2.h; all...
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2010-08-22
Erik Lindahl
Amber force fields now pass validation. Beta status...
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2010-08-21
Erik Lindahl
Added F77 kernel setup headers
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2010-08-21
Erik Lindahl
Fixed synchronization counter update for f77 kernels
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2010-08-21
Erik Lindahl
Fixed a bug for GB OBC born radius calculation in SSE2...
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2010-08-21
Erik Lindahl
Fixed an uninitialized variable bug
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2010-08-21
Erik Lindahl
Fixed a minor bug that caused Fortran builds to fail...
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2010-08-21
Erik Lindahl
Dont write nonpolar surface energy to energy file if...
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2010-08-21
Erik Lindahl
Fixed so Fortran kernels work again
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2010-08-21
Erik Lindahl
Upgraded to latest autoconf platform detection scripts
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2010-08-21
Erik Lindahl
Fixed a chain rule error in double prec. SSE2 GB for...
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2010-08-21
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-21
Erik Lindahl
Double precision SSE2 kernels for Generalized Born...
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2010-08-18
Erik Lindahl
Updated GB SSE2 kernels, testing in progress now...
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2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Erik Lindahl
Modified atom order in Amber nucleotide improper torsions...
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2010-08-18
Erik Lindahl
Modified improper torsion atom order in Amber TRP residues...
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2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Erik Lindahl
Fix to write GB and surface energy to separate terms...
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2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Erik Lindahl
Enabled double precision all-vs-all kernels. Tested...
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2010-08-18
Erik Lindahl
Fixed simple typo in last commit
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2010-08-18
Erik Lindahl
Fixed previous nasm-segv bug for intel-syntax SSE in...
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2010-08-17
Erik Lindahl
Fixed 64-bit bug in SSE assembly (only visible with...
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2010-08-17
Erik Lindahl
Worked around an internal compiler error for MSVC when...
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2010-08-17
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-17
Erik Lindahl
Deprecated -ins option to g_hbond since nobody seems...
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2010-08-17
Erik Lindahl
Copied all-vs-all change from x86-64 to ia32 kernels too
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2010-08-17
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-17
Erik Lindahl
Fixed potential error in coulomb energy, and maybe...
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2010-08-12
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-12
Erik Lindahl
Added double precision SSE2 generalized born kernels...
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2010-08-12
Erik Lindahl
Added ia32 all-vs-all kernels
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2010-08-12
Erik Lindahl
Updated autoconf to work with renamed SSE2 x86-64 asm...
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2010-08-12
Erik Lindahl
Renamed SSE2 x86-64 asm test file to be consistent...
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2010-08-12
Erik Lindahl
Fixed typo to detect both x86_64->i386 and i386->x86_64...
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2010-08-12
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-12
Erik Lindahl
Fixed a naming error introduced yesterday in 32bit...
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2010-08-12
Erik Lindahl
Fixed compiler errors for MSVC inline intrinsics and...
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2010-08-12
Erik Lindahl
Fixed checkpoint problem in 32 bits. We should always...
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2010-08-12
Erik Lindahl
Removed extra TER records after chains we think are...
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2010-08-12
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-12
Erik Lindahl
Fixed SSE kernels in double precision for Cmake, working...
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2010-08-11
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-11
Erik Lindahl
Cmake and Nasm support for windows
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2010-08-10
Erik Lindahl
Moved four more SSE assembly files to avoid double...
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2010-08-10
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-10
Erik Lindahl
Changes to make Cmake work under windows again
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2010-08-10
Erik Lindahl
Renamed intel syntax assembly files to avoid double...
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2010-08-10
Erik Lindahl
Added NASM Cmake support
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2010-08-10
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-10
Erik Lindahl
MAYBE a fix for Berk's Heme problem. Needs testing
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2010-08-08
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-08
Erik Lindahl
Added NHE as an Amber aminoacid residue type
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2010-08-08
Erik Lindahl
Copied CK-CB-N*-CT Amber improper to also list CK-CB...
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2010-08-06
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-06
Erik Lindahl
Fixed incorrect #endif -> #else that caused the C all...
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2010-08-04
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-04
Erik Lindahl
Fixed a bug in index generation for non-adjacent protein...
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2010-08-04
Erik Lindahl
Fixed nonexistent return type on gmx_mm_sincos_pd
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2010-08-04
Erik Lindahl
Added out int-extraction macro to double precision...
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2010-08-04
Erik Lindahl
Added double precision SSE2 transcendental functions...
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2010-08-04
Erik Lindahl
Fixed accuracy issues in gmx_mm_log_ps(), and added...
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2010-08-04
Erik Lindahl
Added double precision SSE2 transcendental functions...
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2010-08-04
Erik Lindahl
Fixed accuracy issues in gmx_mm_log_ps(), and added...
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2010-08-02
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-02
Erik Lindahl
Modified TER record writing behaviour (only add after...
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2010-08-02
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-02
Erik Lindahl
Fixed build issue for template program in double precision
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2010-08-02
Erik Lindahl
Removed unused variable that caused a warning
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2010-08-02
Erik Lindahl
Temporarily disabled double precision SSE2 generalized...
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2010-08-02
Erik Lindahl
Fixed error in (unused) SSE2 double precision inline...
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2010-08-01
Erik Lindahl
Modified index processing to reinstate residue-splitting...
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2010-08-01
Erik Lindahl
Added ion classes to residuetypes.dat
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Erik Lindahl
Replaced non-thread-safe calls to ctime() with our...
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2010-07-30
Erik Lindahl
Added portable gmx_ctime_r() to enable replacement...
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Erik Lindahl
Replaced localtime with localtime_r() on unix and localtime_...
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Erik Lindahl
Replaced readdir() with readdir_r() to avoid future...
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Erik Lindahl
Ported x86-64 single precision SSE2 all-vs-all patch...
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2010-07-29
Erik Lindahl
Commented out calls to double prec. SSE2 all-vs-all...
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2010-07-29
Erik Lindahl
Worked around cross-inclusion problem between grompp...
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2010-07-29
Erik Lindahl
Removed deprecated nsb.h header
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2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-29
Erik Lindahl
Changed index group analysis to only create water_and_ions...
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2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-29
Erik Lindahl
Added residuedefinitions for water, and introduced...
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2010-07-29
Erik Lindahl
Reverted incorrect Makefile edit earlier today
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2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-29
Erik Lindahl
Improved chain separation detection for pdb2gmx, and...
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2010-07-27
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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