| docs/source/micelle7.png | |
|
|
| docs/source/micelle_atomic.png | |
|
|
| docs/source/micelle_molecular.png | |
|
|
| docs/source/molecular.png | |
|
|
| docs/source/newproperties.rst | |
|
|
| docs/source/nocluster.png | |
|
|
| docs/source/nonintrinsic_water.png | |
|
|
| docs/source/observables.rst | |
|
|
| docs/source/pytim.ico | |
|
|
| docs/source/quick.rst | |
|
|
| docs/source/refs.rst | |
|
|
| docs/source/utilities.rst | |
|
|
| pyproject.toml | |
|
|
| pytim/__init__.py | 14 | A 0 mins |
|
| pytim/atoms_maps.py | 111 | A 0 mins |
|
| pytim/circumradius.pyx | |
|
|
| pytim/cube.py | 85 | A 1 hr |
|
| pytim/data/CCL4.H2O.GRO | |
|
|
| pytim/data/LJ.gro | |
|
|
| pytim/data/LJ.short.xtc | |
|
|
| pytim/data/_test_bcc.gro | |
|
|
| pytim/data/_test_orientation.gro | |
|
|
| pytim/data/_test_profile.gro | |
|
|
| pytim/data/antagonistic.gro | |
|
|
| pytim/data/dppc.gro | |
|
|
| pytim/data/ffamber03.nonbonded.itp | |
|
|
| pytim/data/ffcharmm27.nonbonded.itp | |
|
|
| pytim/data/ffg43a1.nonbonded.itp | |
|
|
| pytim/data/fullerene.pdb | |
|
|
| pytim/data/glucose.pdb | |
|
|
| pytim/data/ilbenzene.gro | |
|
|
| pytim/data/logo.pdf | |
|
|
| pytim/data/logo.svg | |
|
|
| pytim/data/methanol.gro | |
|
|
| pytim/data/micelle.pdb | |
|
|
| pytim/data/water-small.gro | |
|
|
| pytim/data/water.gro | |
|
|
| pytim/data/water.pdb | |
|
|
| pytim/data/water.xtc | |
|
|
| pytim/data/water.xyz | |
|
|
| pytim/data/water_520K.gro | |
|
|
| pytim/data/water_550K.gro | |
|
|
| pytim/data/water_droplet_cylindrical.gro | |
|
|
| pytim/data/water_droplet_cylindrical.xtc | |
|
|
| pytim/data/water_lmp.data | |
|
|
| pytim/data/water_lmp.xtc | |
|
|
| pytim/datafiles/__init__.py | 262 | A 3 hrs |
|
| pytim/dbscan_inner.pyx | |
|
|
| pytim/examples/example_gitim_flat.py | 10 | A 0 mins |
|
| pytim/examples/example_mdtraj.py | 12 | A 0 mins |
|
