Gromacs
2022.2
|
api | |
legacy | |
include | |
share | Directory that contains installed data files |
template | Template code for writing analysis programs |
template.cpp | Template code for writing analysis programs |
src | Main source code directory |
gromacs | Source code for building the libgromacs library |
analysisdata | Parallelizable Handling of Output Data (analysisdata) |
commandline | Command Line Program Management (commandline) |
coordinateio | |
domdec | |
fft | |
gmxpreprocess | |
gpu_utils | |
math | |
mdlib | |
mdrun | |
mdtypes | |
nbnxm | |
options | Extensible Handling of Options (options) |
pbcutil | |
random | |
selection | Parsing and Evaluation of Analysis Selections (selection) |
topology | |
trajectoryanalysis | Framework for Trajectory Analysis (trajectoryanalysis) |
utility | Low-Level Utilities (utility) |
analysisdata.h | Public API convenience header for analysis data handling |
commandline.h | Public API convenience header for managing command line programs |
coordinateio.h | |
options.h | Public API convenience header for handling of options |
random.h | Public API convenience header for random engines and distributions |
selection.h | Public API convenience header for selection handling |
trajectoryanalysis.h | Public API convenience header for trajectory analysis framework |
utility.h | Public API convenience header for low-level utilities |
programs | |
mdrun |