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Merge branch 'master' of mmka.chem.univ.gda.pl:unres
[unres.git]
/
source
/
unres
/
2016-02-29
Cezary Czaplewski
correction to previous commit CTEST_FULL_OUTPUT
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commitdiff
2016-02-29
Cezary Czaplewski
correction to previous commit CTEST_FULL_OUTPUT
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commitdiff
2016-02-29
Cezary Czaplewski
added echo CTEST_FULL_OUTPUT (Avoid ctest truncation...
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commitdiff
2016-02-29
Cezary Czaplewski
added echo CTEST_FULL_OUTPUT (Avoid ctest truncation...
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commitdiff
2016-02-29
Cezary Czaplewski
ctest for E0LL2Y with MPI now using FGPROCS=2
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commitdiff
2016-02-29
Cezary Czaplewski
ctest for E0LL2Y with MPI now using FGPROCS=2
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commitdiff
2016-02-29
Cezary Czaplewski
ctest for E0LL2Y with reference energy diff
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commitdiff
2016-02-29
Cezary Czaplewski
ctest for E0LL2Y with reference energy diff
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commitdiff
2015-12-20
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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commitdiff
2015-12-20
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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commitdiff
2015-10-27
Cezary Czaplewski
ENERGY_DEC printout works for ESTR
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commitdiff
2015-10-27
Cezary Czaplewski
ENERGY_DEC printout works for ESTR
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commitdiff
2015-10-26
Cezary Czaplewski
ENERGY_DEC printout works for ebend in E0LL2Y forcefield
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commitdiff
2015-10-26
Cezary Czaplewski
ENERGY_DEC printout works for ebend in E0LL2Y forcefield
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commitdiff
2015-10-14
Cezary Czaplewski
switch off debugging in src_MD-M
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commitdiff
2015-10-14
Cezary Czaplewski
switch off debugging in src_MD-M
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commitdiff
2015-10-08
Cezary Czaplewski
energy_dec works with etors_d
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commitdiff
2015-10-08
Cezary Czaplewski
energy_dec works with etors_d
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commitdiff
2015-09-30
Adam Liwo
Changes AL
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commitdiff
2015-09-30
Adam Liwo
Changes AL
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commitdiff
2015-07-07
Cezary Czaplewski
restraints from contact prediction for CSA version
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commitdiff
2015-07-07
Cezary Czaplewski
restraints from contact prediction for CSA version
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commitdiff
2015-06-05
Adam Liwo
by Adam
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commitdiff
2015-06-05
Adam Liwo
by Adam
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commitdiff
2015-05-10
Adam Liwo
Import fixed makefiles in cluster
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commitdiff
2015-05-10
Adam Liwo
Import fixed makefiles in cluster
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commitdiff
2015-05-10
Adam Liwo
Fixed geomout.F
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commitdiff
2015-05-10
Adam Liwo
Fixed geomout.F
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commitdiff
2015-05-10
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2015-05-10
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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commitdiff
2015-05-07
Cezary Czaplewski
adding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M
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commitdiff
2015-05-07
Cezary Czaplewski
adding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M
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commitdiff
2015-05-07
Cezary Czaplewski
fixed binary names for cmake and make
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commitdiff
2015-05-07
Cezary Czaplewski
fixed binary names for cmake and make
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commitdiff
2015-05-07
Cezary Czaplewski
Merge branch 'prerelease-3.2.1'
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commitdiff
2015-05-07
Cezary Czaplewski
Merge branch 'prerelease-3.2.1'
tree
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commitdiff
2015-05-07
Cezary Czaplewski
Merge branch 'master' of mmka.chem.univ.gda.pl:unres
tree
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commitdiff
2015-05-07
Cezary Czaplewski
Merge branch 'master' of mmka.chem.univ.gda.pl:unres
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
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commitdiff
2015-05-06
Adam Sieradzan
correction in readpdb (bugfix)
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commitdiff
2015-05-06
Adam Sieradzan
correction in readpdb (bugfix)
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commitdiff
2015-05-06
Adam Sieradzan
correction in readpdb (bugfix)
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commitdiff
2015-05-06
Adam Sieradzan
correction in readpdb (bugfix)
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commitdiff
2015-04-08
Adam Liwo
By Adam
tree
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commitdiff
2015-04-08
Adam Liwo
By Adam
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commitdiff
2015-03-25
Cezary Czaplewski
changes to avoid PMPI_Scatterv: Invalid buffer pointer...
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commitdiff
2015-03-25
Cezary Czaplewski
changes to avoid PMPI_Scatterv: Invalid buffer pointer...
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commitdiff
2015-03-13
Cezary Czaplewski
changes to avoid PMPI_Scatterv: Invalid buffer pointer...
tree
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commitdiff
2015-03-13
Cezary Czaplewski
changes to avoid PMPI_Scatterv: Invalid buffer pointer...
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commitdiff
2015-02-25
Adam Sieradzan
Finding undefined tua...
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commitdiff
2015-02-25
Adam Sieradzan
Finding undefined tua...
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commitdiff
2015-02-24
Adam Sieradzan
zmiany przywracajace TURN dla dummy i rozszerzajace...
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commitdiff
2015-02-24
Adam Sieradzan
zmiany przywracajace TURN dla dummy i rozszerzajace...
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commitdiff
2015-02-23
Adam Sieradzan
poprawka turn3 i turn4 uwaga moga byc wlaczone diagnostki
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commitdiff
2015-02-23
Adam Sieradzan
poprawka turn3 i turn4 uwaga moga byc wlaczone diagnostki
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commitdiff
2015-02-19
Adam Sieradzan
EBE change in prerealese-3.2.1 make dummy atom idependent
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commitdiff
2015-02-19
Adam Sieradzan
EBE change in prerealese-3.2.1 make dummy atom idependent
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commitdiff
2015-02-16
Adam Sieradzan
poprawka w src_MD
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commitdiff
2015-02-16
Adam Sieradzan
poprawka w src_MD
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commitdiff
2015-02-16
Adam Sieradzan
Poprawiony src_MD-M gradient
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commitdiff
2015-02-16
Adam Sieradzan
Poprawiony src_MD-M gradient
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commitdiff
2015-02-11
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2015-02-11
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2015-02-11
Adam Sieradzan
rozgrzebana minimalizacja
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commitdiff
2015-02-11
Adam Sieradzan
rozgrzebana minimalizacja
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commitdiff
2015-02-11
Adam Sieradzan
intro of SCCOR into src_MIN
tree
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commitdiff
2015-02-11
Adam Sieradzan
intro of SCCOR into src_MIN
tree
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commitdiff
2015-01-24
Adam Liwo
Corrected refsys.f in src_MD-M
tree
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commitdiff
2015-01-24
Adam Liwo
Corrected refsys.f in src_MD-M
tree
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commitdiff
2015-01-23
Adam Liwo
refsys
tree
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commitdiff
2015-01-23
Adam Liwo
refsys
tree
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commitdiff
2015-01-23
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2015-01-23
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2015-01-23
Adam Liwo
Corrected refsys.f in src_MD-M
tree
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commitdiff
2015-01-23
Adam Liwo
Corrected refsys.f in src_MD-M
tree
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commitdiff
2015-01-22
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2015-01-22
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2015-01-19
Adam Sieradzan
dzialajacy wham+poprawka w funckji energi+ poprawka...
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commitdiff
2015-01-19
Adam Sieradzan
dzialajacy wham+poprawka w funckji energi+ poprawka...
tree
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commitdiff
2015-01-08
Cezary Czaplewski
Makefiles for mpich2 and some corrections to Makefiles
tree
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commitdiff
2015-01-08
Cezary Czaplewski
Makefiles for mpich2 and some corrections to Makefiles
tree
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commitdiff
2015-01-05
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2015-01-05
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2015-01-05
Adam Liwo
Added cinfo
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commitdiff
2015-01-05
Adam Liwo
Added cinfo
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commitdiff
2015-01-05
Adam Liwo
MREMD corrected; Langevin mode (bcast instead of scatte...
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commitdiff
2015-01-05
Adam Liwo
MREMD corrected; Langevin mode (bcast instead of scatte...
tree
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commitdiff
2015-01-04
Adam Sieradzan
poprawka gradientu w CSA
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commitdiff
2015-01-04
Adam Sieradzan
poprawka gradientu w CSA
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commitdiff
2015-01-04
Adam Sieradzan
Naprawienie wham'a oraz wprowadzenie SCcorr do CSA
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commitdiff
2015-01-04
Adam Sieradzan
Naprawienie wham'a oraz wprowadzenie SCcorr do CSA
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commitdiff
2014-12-30
Adam Sieradzan
wprowadzenie do multichaina SCcorr
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commitdiff
2014-12-30
Adam Sieradzan
wprowadzenie do multichaina SCcorr
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commitdiff
2014-12-19
Adam Sieradzan
debug w poszukiwaniu bledu w ostatniej reszcie
tree
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commitdiff
2014-12-19
Adam Sieradzan
debug w poszukiwaniu bledu w ostatniej reszcie
tree
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commitdiff
2014-12-18
Adam Kazimierz Sie...
Wprowadzenie SCCOR dla wham-M
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commitdiff
2014-12-18
Adam Kazimierz Sie...
Wprowadzenie SCCOR dla wham-M
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commitdiff
2014-12-17
Adam Kazimierz Sie...
Poprawiony SCR_MD-M i dzialajacy
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commitdiff
2014-12-17
Adam Kazimierz Sie...
Poprawiony SCR_MD-M i dzialajacy
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commitdiff
next