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working cluster for nano parameters
[unres.git]
/
source
/
unres
/
src_MD-M
/
energy_p_new_barrier.F
2017-03-24
Adam Sieradzan
working cluster for nano parameters
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2017-03-10
Adam Sieradzan
Correction of D-AA to parmread
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2017-02-21
Adam Sieradzan
introcuction of cavity term for pepgroup for nanosphere
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2017-01-26
Adam Sieradzan
nanophere working
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2017-01-23
Adam Sieradzan
nano part 3
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2017-01-23
Adam Sieradzan
nano part2
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2017-01-23
Adam Sieradzan
introduction nanosphere part 1
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2017-01-12
Adam Sieradzan
correction in tube for parallel code
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2017-01-10
Adam Sieradzan
dodanie parametrow do nanotube
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2016-05-11
Adam Sieradzan
bug fix in energy src_MD-M
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2016-05-09
Adam Sieradzan
change of shield sending and receiving buff in MPI
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2016-05-09
Adam Sieradzan
bugfix in shield FGPROC>1
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2016-04-21
Adam Sieradzan
debug off
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2016-04-21
Adam Sieradzan
respa cleaning (my bug) and shielding MPI and previous...
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2016-04-19
Adam Sieradzan
modyfication for tube
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2016-04-01
Adam Sieradzan
AFM+tube+kcc
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2016-03-30
Adam Sieradzan
introduction of infinite cylinder potential - currently...
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2016-03-30
Adam Sieradzan
wham is prining energies; all "good" changes seems...
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2016-03-08
Adam Sieradzan
bug fix after Ana and cluster lipid (still in progress)
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2016-02-11
Adam Sieradzan
introduction of shielding to cluster DEBUG mode
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2016-02-03
Adam Sieradzan
correction in wham and UNRES for lipid and correlation
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2016-01-14
Adam Sieradzan
Merge branch 'AFM' of mmka:unres into AFM
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2016-01-12
Adam Sieradzan
changes in wham
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2016-01-03
Adam Liwo
New valence-torsionals completed
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2015-12-11
Adam Sieradzan
changes in shielding
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2015-12-02
Adam Sieradzan
correction in shield
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2015-11-27
Adam Sieradzan
AFM cleaning with pgi compiler
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2015-11-26
Adam Sieradzan
implementation of czybyszeb grad ok
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2015-11-20
Adam Sieradzan
adding of Czybyshev part 1
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2015-11-06
Adam Sieradzan
working gradient for shielding - even the fine grain...
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2015-11-02
Adam Sieradzan
rozgrzebany shield
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2015-10-21
Adam Sieradzan
sprawdzenie shieldingu
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2015-09-29
Adam Sieradzan
Merge branch 'lipid' into AFM
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2015-09-29
Adam Sieradzan
ESSENTIAL CHANGE - BUG FIX in ENERGY to have old Correl...
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2015-09-22
Adam Sieradzan
working shielding
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2015-09-08
Adam Sieradzan
Shielding part 2
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2015-09-01
Adam Sieradzan
introduction of shielding effect (volume of overlap)
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2015-08-06
Adam Sieradzan
Merge branch 'devel' into AFM
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2015-08-06
Adam Sieradzan
first changes for shielding
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2015-08-06
Adam Sieradzan
Merge branch 'AFM' into multichain
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2015-08-06
Adam Sieradzan
intoduction of constant velocity for spring
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2015-08-03
Adam Sieradzan
1) debug of Lorentzian like constrains in cluster 2...
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2015-08-02
Adam Sieradzan
first introduction of valence constrains - not working yet
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2015-07-31
Adam Sieradzan
introduction of different ftors for each site
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2015-07-31
Adam Sieradzan
First trial to introduce steered MD non successful
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2015-07-28
Adam Sieradzan
Intoduction Lorentizan like restrains to cluster
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2015-07-21
Adam Sieradzan
WHAM for Lorentzian like constrains fixed - DEBUG OFF
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2015-07-17
Adam Sieradzan
first attempt to indroduce AFM velocity
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2015-07-06
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into multichain
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2015-07-06
Adam Sieradzan
intoduction of quartic restrains in multichain, bugfix...
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2015-07-03
Adam Sieradzan
WeFold Lorentzian like potentials introduction
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2015-06-30
rojas
Change in energy_p_new_barrier.F, in eelec, aorund...
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2015-06-26
Adam Sieradzan
Changes suggested by Ana
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2015-06-24
Dawid Jagiela
removed uninitialized ghalf from equation
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2015-05-22
Pawel Krupa
Fixed bug in reading trisulfide potentials (atriss...
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2015-04-17
Adam Sieradzan
Zaimplementowany AFM
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2015-04-13
Adam Sieradzan
Introduction of SS to newcorr and SSS to src_MD-M
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2015-03-19
Adam Sieradzan
chyba dzialajacy lipid
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2015-03-18
Adam Sieradzan
Merge branch 'multichain' into lipid
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2015-03-18
Adam Sieradzan
correction of correlation potentials
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2015-03-18
Adam Sieradzan
poprawki w potencjalach
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2015-03-16
Adam Sieradzan
drobne poprawki
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2015-03-04
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into lipid
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2015-03-04
Adam Sieradzan
correction in multichain
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2015-03-04
Adam Sieradzan
introduce lipid good grad wrong symplex
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2015-02-24
Adam Sieradzan
Merge branch 'master' into multichain
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2015-02-19
Adam Sieradzan
poprawki w ANG w src_MD-M
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2015-02-10
Adam Sieradzan
wprowadzenie lipidow
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2015-01-29
Adam Sieradzan
Introduction of lipid energy transfer
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2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres
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2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres into multichain
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2014-12-11
Adam Liwo
Created binaries and fixed bugs when compiling single...
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2014-11-06
Dawid Jagiela
1) changes for FindMPI macro in source/unres/src_MD_DFA
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2014-11-05
Dawid Jagiela
fixed marge problem
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2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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2014-07-24
Adam Kazimierz Sie...
After long DEBUG of energy function
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2014-06-18
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
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2014-06-18
Cezary Czaplewski
dyn-ss in MD-M
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2014-06-17
Adam Kazimierz Sie...
dalej wylaczona diagnostyka
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2014-06-17
Adam Kazimierz Sie...
wylacznie diagnostyki
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2014-05-25
Adam Kazimierz Sie...
zmiany, wylaczenie diagnostyki, dzialajacy WHAM
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2014-05-12
Adam Sieradzan
po przyspieszeniu przed checkgradem i sympcheckiem
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2014-05-08
Adam Sieradzan
Adjusted energy file (small improvement)
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2014-05-01
Adam Sieradzan
polepszenie wydajnosci algorytmu PBC
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2014-02-24
Adam Sieradzan
Working gradient for PBC
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2014-02-17
Adam Sieradzan
The wrong one gradient compontent...
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2014-02-08
Adam Sieradzan
zmiany w galezi multichain
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2014-01-29
Adam Sieradzan
DO zmiany czytanie pisanie i cutoff
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2013-11-18
Adam Sieradzan
dzialajacy gradient
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2013-11-14
Adam Sieradzan
Dzialajacy gradient dla reszt 13 i 7
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2013-11-14
Adam Sieradzan
zabezpieczenie przedczarkowe
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2013-11-05
Adam Sieradzan
pierwsza proba merga devela do adasko
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2013-09-02
Cezary Czaplewski
dynamic disulfides in multichain
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2013-08-31
Adam Kazimierz Sie...
1)Clean-up 2)making similar src_MD and its multichain...
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2013-07-16
Adam Sieradzan
NIE PEWNE ZMIANY ZWERYFIKUJ!!
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2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
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2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
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2012-12-18
Adam Sieradzan
Usuniecie diagnostyki
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2012-12-06
Adam Sieradzan
bugfix w whamie w parmreadzie
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2012-12-06
Adam Sieradzan
bugfix przekroczenia granic
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