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Searched defs:traj2 (Results 1 – 5 of 5) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/tests/physicalvalidation/physical_validation/util/
H A Densemble.py45 def generate_histograms(traj1, traj2, g1, g2, bins): argument
58 def do_linear_fit(traj1, traj2, g1, g2, bins, argument
132 def do_max_likelihood_fit(traj1, traj2, g1, g2, argument
303 def check_bins(traj1, traj2, bins): argument
474 def check_1d(traj1, traj2, param1, param2, kb, argument
721 def check_2d(traj1, traj2, param1, param2, kb, pvconvert, argument
H A Dtrajectory.py204 def overlap(traj1, traj2, cut=None, verbose=False, name=None): argument
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/
H A DTrajectoryTests.java100 Trajectory traj2 = new Trajectory(traj); in testTrajectory2D() local
164 Trajectory traj2 = new Trajectory(traj); in testTrajectory3D() local
299 Trajectory traj2 = new Trajectory(3, 3); in testReadAmberJava() local
/dports/science/py-ase/ase-3.22.0/ase/test/fio/
H A Dtest_vasp_structure.py32 def assert_trajectory_almost_equal(self, traj1, traj2): argument
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Trajectory/
H A DtrajectoryTest.cpp120 Trajectory traj2(traj); in testTrajectory2D() local
195 Trajectory traj2(traj); in testTrajectory3D() local