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(parent: afa8f7f) | 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)
commit40bf66aba1eb110e45e3c01a2001428f6864f300
tree637038bdf399e3bea97fe3d16c4ebcf07f1397b2tree | snapshot
parentafa8f7f791bbefc676d7f344d7b4a655f7c29f47commit | 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