7 Commits

Author	SHA1	Message	Date
Axel Kohlmeyer	a7fce6dc39	add harmonic/cut to python example folder. small tweaks to docs and examples	2022-03-18 17:58:30 -04:00
Richard Berger	147e561dca	Update in.fix_python_invoke_neighlist example	2021-05-07 12:51:58 -04:00
Richard Berger	02b10380bc	Create ctypes only neighbor list API variant ... This moves the lammps.get_neighlist() method to lammps.numpy.get_neighlist(). lammps.get_neighlist() now returns a NeighList object, while the NumPy variants returns a NumPyNeighList object. The main difference between the two is that while the ctypes variant returns neighlist elements as atom idx (int), numneighs (int), neighbors (POINTER(c_int)) the NumPy variant returns atom idx (int), neighbors (numpy.array)	2020-10-05 16:21:37 -04:00
Richard Berger	be72ce2534	Simplify Python examples to use numpy.extract_atom	2020-09-17 16:51:46 -04:00
Richard Berger	e6703019bc	Update examples to use Python API constants	2020-09-16 16:10:43 -04:00
Richard Berger	34dbcf4f20	Update example	2019-09-12 13:53:29 -04:00
Richard Berger	69854eab42	Expose Neighbor lists via library interface	2019-09-12 13:46:05 -04:00