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(parent: cd5e81b) | patch
ctest for thermostats: Langevin, Nose-Hoover and Berendsen
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 8 Mar 2016 01:28:55 +0000 (02:28 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 8 Mar 2016 01:28:55 +0000 (02:28 +0100)
commit2b22ae3a12caba7d69016abb77858ebf02f8a6a6
tree2d82fb11d325760aff4c9ee0468e758de3d2ec4etree | snapshot
parentcd5e81be57e10b77ed63e3b0983945bd93b88393commit | diff
ctest for thermostats: Langevin, Nose-Hoover and Berendsen

with plotting of temperature distribution using python matplotlib
ctest/1L2Y_B.inp [new file with mode: 0644] blob
ctest/1L2Y_L.inp [new file with mode: 0644] blob
ctest/1L2Y_NH.inp [new file with mode: 0644] blob
ctest/matplotlib_fit_hist.py [new file with mode: 0755] blob
ctest/prota_unres_energy_check.sh diff | blob | history
source/unres/src_MD/CMakeLists.txt diff | blob | history
UNRESPACK 3.x