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Correlation function calculations
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Correlation function calculations
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Commits on Aug 20, 2024
test_correlation: Correlation function
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README: Change in install instructions
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test_bonds: Continuous bond
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bindings: Continuous hydrogen bond definition
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test_correlation: Increase the number of timesteps
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io: Read in all frames
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Commits on Aug 22, 2024
io: Minor formatting change
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bindings: New bindings for correlation function
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hbond_tcf: Works now!
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Commits on Aug 23, 2024
examples: Added plotting script for TCF
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misc: Fit to biexponential function
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misc: Curve fitting to biexponential function
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io: Read slices of trajectory (like ASE)
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License: GPL license since I need ASE bits
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Commits on Sep 11, 2024
ase: Separate modified ASE functions
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misc: Descriptive comment added
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ase: Put modified files into separate folder
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test_io: Minor formatting
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test_io: Test that you can read in a slice
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test_avg_chunk: Average trajectory in chunks
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test_avg_chunk: Check for coordinate averaging
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Commits on Sep 16, 2024
misc: Add exponential model
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