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NPY_INT should be used instead of NPY_LONG
2015-02-03 Alexey ShvetsovNPY_INT should be used instead of NPY_LONG
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2015-01-27 Alexey ShvetsovMerge branch 'master' into pygromacs
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2015-01-08 Alexey ShvetsovMerge branch 'master' into pygromacs
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2014-12-22 Alexey ShvetsovAdjust gitattributes
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2014-12-22 Alexey ShvetsovMerge branch 'master' into pygromacs
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2014-12-06 Alexey Shvetsovdos2unix for FindNumPy
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2014-12-06 Alexey ShvetsovUpdate build system to properly play with numpy
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2014-10-14 Alexey ShvetsovFix compilation of python bindings
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2014-10-13 Alexey ShvetsovDrop accidently added file
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2014-10-13 Alexey ShvetsovAdd python api to gromacs build
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2014-05-09 Alexey ShvetsovFix clang 3.5 warnings regarding *abs*
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2014-04-17 Alexey ShvetsovMove sfactor.[hc] to gmxana
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2014-02-26 Alexey ShvetsovFix -Wmaybe-uninitialized warnings in some files
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-11-30 Alexey ShvetsovFix -Wstrict-overflow in domdec.c
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-10-30 Alexey Shvetsovgromacs cpp: clean up -Wunused-parameter warnings
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2013-10-30 Alexey Shvetsovnbnxn_kernels: Clean up -Wunused-parameter warnings
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-10-29 Alexey Shvetsovmdlib: Clean up -Wunused-parameter warnings
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2013-09-26 Alexey Shvetsovg_tune_pme: Clean up -Wunused-parameter warnings
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-09-26 Alexey Shvetsovprograms: clean up -Wunused-parameter warnings
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-25 Alexey Shvetsovnb_kernel_sparc64_hpc_ace_double: clean up -Wunused...
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-25 Alexey Shvetsovnb_kernel_sse4_1_double: clean up -Wunused-parameter...
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-25 Alexey Shvetsovnb_kernel_sse2_double: clean up -Wunused-parameter...
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-25 Alexey Shvetsovnb_kernel_avx_256_double: clean up -Wunused-parameter...
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-25 Alexey Shvetsovnb_kernel_avx_128_fma_double: clean up -Wunused-parameter...
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-25 Alexey Shvetsovnb_kernel_sse2_single: clean up -Wunused-parameter...
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-25 Alexey Shvetsovnb_kernel_sse4_1_single: clean up -Wunused-parameter...
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-25 Alexey Shvetsovnb_kernel_avx_128_fma_single: clean up -Wunused-parameter...
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-25 Alexey Shvetsovnb_kernel_avx_256_single: clean up -Wunused-parameter...
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-25 Alexey Shvetsovnonbonded and nb_kernel_c: clean up -Wunused-parameter...
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-25 Alexey Shvetsovmdlib: clean up -Wunused-parameter warnings
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-18 Alexey Shvetsovlinearalgebra and fft: clean up -Wunused-parameter...
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-18 Alexey Shvetsovgmxlib: clean up -Wunused-parameter warnings
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-14 Alexey Shvetsovgmxpreprocess: clean up -Wunused-parameter warnings
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-14 Alexey Shvetsovgmxana: clean up -Wunused-parameter warnings
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2013-07-11 Alexey ShvetsovMake uncrustify.sh compatible with more recent env
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2012-12-22 Alexey Shvetsov[tools] g_sans - add trajectory avereging
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2012-12-07 Alexey Shvetsov[tools] Split off g_saxs from g_rdf
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2012-10-18 Alexey Shvetsov[tools] Allow g_dist to use default index group
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2012-10-05 Alexey Shvetsov[tools] g_sans - add trajectory avereging
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2012-05-09 Alexey Shvetsov[tools] g_sans - add OpenMP based parallelism
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2012-04-26 Alexey Shvetsov[tools] g_sans - splited out fixes and added citation
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2012-03-01 Alexey Shvetsov[tools] Move common functions from gmx_sans.c to nsfactor.c
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2012-01-25 Alexey Shvetsovg_sans - tool to compute SANS spectra
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2011-11-08 Alexey Shvetsovmdp options in *.html also uses '-' instead of '_'
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2011-10-20 Alexey ShvetsovReplace '_' to '-' in mdp options for tutorials
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2011-10-20 Alexey ShvetsovReplace '_' in all mdp options to '-'
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2011-10-11 Alexey ShvetsovAdd CMakeLists.txt.user to gitignore
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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2011-10-11 Alexey ShvetsovUpdated grompp.mdp for tutor/water
Signed-off-by: Alexey Shvetsov <alexxy@omrb.pnpi.spb.ru>
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Local GROMACS mirror with custom stuff