Release 5.0.2

Updated documentation.

Release 5.0.1

update docs

Release 5.0

See previous betas for release notes.

Release 5.0rc1

v5.0rc1

only open xtcfile once; fix memory leaks (frameArray destructor)

Release 5.0beta2

*Detect if xdrfile is already installed on system.

Release 5.0beta1

• In addition to previous beta, add banner (can be turned off with cmake flag -DBANNER=OFF).
• Update example and documentation.
• Fix compile flags.

Release 5.0 beta0

• Add experimental AVX classes. Can perform some operations on 8 different sets of coordinates at the same time (like distance2 and pbc). Use -DAVX=ON with cmake to compile.
• Add cubicbox class and functions. Useful for when you know your simulation is cubic, since it won't waste time with extra calculations with pbc.
• Split up reading trajectory file in to two Trajectory methods "read()" and "read_next()". The Trajectory constructor no longer reads in the entire file automatically. You now need to construct the object and call either read() once or read_next() in a loop and then close the xtc file. read() reads the entire xtc file and closes it. read_next(n) reads the next n frames into memory, keeping the file open until the method close() is called.

Release 4.0

See notes for the beta.

Release v4.0beta0

Reverted many of the changes from 3.5beta (was very slow in reading in the configurations). Now uses std::array to store data both in the coordinates class and triclinicbox class instead of inheriting the vector class. Various speed improvements in Utils, especially pbc and distance, mainly by not using "at()".

box.at(i).at(j) is no longer used to access the box dimensions. Instead use box(i, j).

coordinates.at(i) is no longer used to access the x, y, and z components. Instead use coordinates[i].

Release 3.6-beta0

Because 3.5 was terrible, I'm skipping it.