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unres.git
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
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2012-07-06
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2012-07-06
Dawid Jagiela
added CMake install documentation
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2012-07-06
Adam Kazimierz...
wyrowanie COMMON>SCCOR
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2012-07-06
Adam Kazimierz...
poprawka przy liczeniu tau w clustrze
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2012-07-06
Adam Kazimierz...
proba pullowania
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2012-07-06
Adam Kazimierz...
Zabijanie robakow znalezionych przez Pawla w WHAMie
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2012-07-05
Adam Liwo
Merge branch 'adam' into devel
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2012-07-05
Adam Liwo
Minor change
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2012-07-05
Adam Liwo
Minor change
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2012-07-05
Adam Kazimierz...
zmiana binarki...
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2012-07-05
Adam Liwo
Merge branch 'adam' into devel
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2012-07-05
Adam Liwo
5/7/2012 by Adam
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2012-07-05
Adam Kazimierz...
hotfix of SCCOR potentials
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2012-07-05
Adam Kazimierz...
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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2012-07-05
Adam Kazimierz...
hotfix do potencjalow AM1
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2012-06-27
Dawid Jagiela
1) added ctests for xdrf2pdb-m 2) cleanup
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2012-06-27
Dawid Jagiela
fixed broken (by adasko) alignment in COMMON.SCCOR
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2012-06-27
Adam Kazimierz...
Merge branch 'adasko' into devel
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2012-06-27
Adam Kazimierz...
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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2012-06-27
Adam Kazimierz...
git ignore
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2012-06-27
Adam Kazimierz...
glupia zmiana
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2012-06-27
Adam Kazimierz...
Wprowadzenie SCCOR do WHAMa i CLUSTROWNIA
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2012-06-20
Dawid Jagiela
LAM/MPI boot ctest modification
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2012-06-19
Dawid Jagiela
added -cpp flag to force preprocesing for all files...
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2012-06-19
Dawid Jagiela
Moved ifdef MOMENT part from COMMON.CONTACTS to COMMON...
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2012-06-18
Dawid Jagiela
enable compiler preprocesor flags for non-standard...
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2012-06-18
Dawid Jagiela
added source/cluster/wham/src/gnmr1.f to cmake build
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2012-06-18
Dawid Jagiela
added gnmr1.f to sources in cmake builds
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2012-06-18
Dawid Jagiela
fixed merge conflict in readrtns_csa.F
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2012-06-18
Dawid Jagiela
fixed source/xdrfpdb/src-M/xdrf2pdb-m.F
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2012-06-18
Dawid Jagiela
fixed merge renamed source file: newconf.f is now newconf.F
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2012-06-18
Dawid Jagiela
resolving merge conflicts
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2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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2012-06-18
Adam Liwo
Merge branch 'adam' into devel
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2012-06-18
Dawid Jagiela
fixed indent for gfortran build in source/unres/src_MD...
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2012-06-18
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2012-06-18
Dawid Jagiela
removed MPI form CMakeLists.txt in xdrfpdb
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2012-06-18
Adam Kazimierz...
unified .gitignore
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2012-06-18
Adam Kazimierz...
small fix in .gitingnore
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2012-06-18
Adam Kazimierz...
Merge branch 'adasko' into devel
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2012-06-18
Adam Kazimierz...
poprawka gitignore
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2012-06-18
Adam Kazimierz...
zmiana w git ignore
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2012-06-18
Adam Kazimierz...
zmiany po usunieciu diagnostyki...
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2012-06-15
Adam Liwo
6/15/2012 by Adam
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2012-06-15
Adam Kazimierz...
dzialajacy grad check....
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2012-06-14
Adam Liwo
6/14/12 by Adam: unnecessary files deleted
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2012-06-14
Adam Liwo
6/14/12 by Adam - changes committed
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2012-06-14
Adam Liwo
6/14/2012 by Adam
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2012-06-14
Adam Kazimierz...
Dzialajacy INTERTYP=1 i INTERTYP=2
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2012-06-11
Adam Liwo
6/11/2012 by Adam
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2012-06-11
Adam Liwo
6/11/2012 by Adam
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2012-06-11
Dawid Jagiela
fixed iblnk in xdrf2ang
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2012-06-11
Dawid Jagiela
added ctests for xdrf2ang
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2012-06-11
Dawid Jagiela
fix of malloc in xdrf2pdb-m
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2012-06-11
Dawid Jagiela
fix of xdrf2ang
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2012-06-11
Cezary Czaplewski
DFA is switched off by default
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2012-06-11
Adam Liwo
6/11/2012 Changes of the CSA version
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2012-06-11
Adam Liwo
6/11/2012 Update of the CSA version
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2012-06-08
Dawid Jagiela
added ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
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2012-06-05
Dawid Jagiela
xdrf2pdb programs doesn't require MPI so MPI-flags...
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2012-06-05
Dawid Jagiela
added ctests for xdrf2pdb (one & three letter sequence )
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2012-06-05
Dawid Jagiela
UNRES single MD for MPI ctest file permissions fix
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2012-06-05
Adam Kazimierz...
UDALO SIE TERAZ DEBUG
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2012-06-05
Dawid Jagiela
added MPI ctest for unres single MD
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2012-05-29
Adam Kazimierz...
kolejna
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2012-05-29
Adam Kazimierz...
zmienionwe zostaly i zostal chyba tylko int to cart...
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2012-05-29
Adam Kazimierz...
sadas
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2012-05-29
Adam Liwo
5/29/2012 by Adam
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2012-05-27
Dawid Jagiela
compile_definitions workaround (cmake does not pass...
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2012-05-27
Dawid Jagiela
included <stdio.h> in proc_proc.c
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2012-05-27
Dawid Jagiela
sscanf EOF fix in source/wham/src-M/proc_proc.c
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2012-05-27
Dawid Jagiela
closing ascii art frames in energy_p_new.F
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2012-05-27
Dawid Jagiela
flags typo fix
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2012-05-26
Dawid Jagiela
added header for proc_proc.c
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2012-05-26
Dawid Jagiela
wham compinfo EOF fix
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2012-05-26
Dawid Jagiela
EOF warning fix
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2012-05-26
Dawid Jagiela
compinfo.c rewrite
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2012-05-26
Dawid Jagiela
void cast on fgets & fscanf in compinfo.c
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2012-05-26
Dawid Jagiela
compinfo.c warning supresion
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2012-05-25
Dawid Jagiela
gfortran fix for cluster/wham/src build
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2012-05-24
Dawid Jagiela
gfortran proc_proc.c build flags fix in source/cluster...
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2012-05-22
Dawid Jagiela
integer overflow fixed in xdrf2x.F
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2012-05-22
Dawid Jagiela
more xdrfpdb fixes for gfortran build
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2012-05-22
Dawid Jagiela
gfortran patch for xdrf2ang.f
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2012-05-20
Dawid Jagiela
added missing source cluster/wham/src-M
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2012-05-20
Dawid Jagiela
cluster/wham hc.f gfortran fix
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2012-05-20
Dawid Jagiela
include typo fixed + cleanup
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2012-05-20
Adam Liwo
5/20/2012 by Adam
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2012-05-18
Dawid Jagiela
deleted: PARAM/1igd.cart~
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2012-05-18
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2012-05-18
Dawid Jagiela
fixed ascii art frames in source/cluster/wham/src...
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2012-05-18
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
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2012-05-18
Cezary Czaplewski
an example for MIN only version of unres, corrected...
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2012-05-18
Dawid Jagiela
Merge branch 'feature-cmake' into devel
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2012-05-18
Dawid Jagiela
another ascii art frame fix
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2012-05-18
Dawid Jagiela
fix for gfortran build of source/cluster/unres
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2012-05-16
Dawid Jagiela
fixed typo
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2012-05-16
Dawid Jagiela
added CMake files to build cluster/wham/src-M
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2012-05-15
Dawid Jagiela
added missig wham/src-M source files to cmake build
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