| commit | 3b95736813d66d69aab2da234b99807020e61da3 | |
| author | Magnus Lundborg <lundborg.magnus@gmail.com> | |
| Thu, 26 Nov 2015 10:50:59 +0000 (26 11:50 +0100) | ||
| committer | David van der Spoel <davidvanderspoel@gmail.com> | |
| Sat, 5 Dec 2015 23:23:03 +0000 (6 00:23 +0100) | ||
| tree | 949d46e5b63d302d1f26d3e7f15c86bbc63d7bc3 | treesnapshot (tar.gz zip) |
| parent | c81468d80dbbd33808b0ee9ccde67af0844ffaee | commitdiff |
Write forces and velocities to compressed TNG.
If there is no uncompressed coordinate output write forces
and velocities to the TNG file with compressed coordinate
output. If there is uncompressed coordinate output to a
TNG file forces and velocities will be written to it.
Use a greatest common divisor to set the frequency of some TNG
data output to ensure lambdas and box shape are written at least
as often as anything else.
This commit closes #1863.
Change-Id: I61bb5513f5080847f9098ff4fd7f01c8d1415a8f
If there is no uncompressed coordinate output write forces
and velocities to the TNG file with compressed coordinate
output. If there is uncompressed coordinate output to a
TNG file forces and velocities will be written to it.
Use a greatest common divisor to set the frequency of some TNG
data output to ensure lambdas and box shape are written at least
as often as anything else.
This commit closes #1863.
Change-Id: I61bb5513f5080847f9098ff4fd7f01c8d1415a8f
| src/gromacs/fileio/tngio.cpp | diffblobblamehistory | |
| src/gromacs/mdlib/mdoutf.cpp | diffblobblamehistory |