Introduce Trotter decomposition / MTTK for modular simulator
authorPascal Merz <pascal.merz@me.com>
Mon, 7 Jun 2021 21:07:27 +0000 (21:07 +0000)
committerPascal Merz <pascal.merz@me.com>
Mon, 7 Jun 2021 21:07:27 +0000 (21:07 +0000)
commit2f0bcc37c6ab84f250c5ffc0ebdeee267b847a9f
tree702e94b355b539796a3c4cedcf553e6880afbbab
parentc3c1b3565f3aca6263f5ec88a78f907c4c3fc54a
Introduce Trotter decomposition / MTTK for modular simulator
src/gromacs/modularsimulator/computeglobalselement.cpp
src/gromacs/modularsimulator/domdechelper.cpp
src/gromacs/modularsimulator/modularsimulator.cpp
src/gromacs/modularsimulator/mttk.cpp [new file with mode: 0644]
src/gromacs/modularsimulator/mttk.h [new file with mode: 0644]
src/gromacs/modularsimulator/nosehooverchains.cpp [new file with mode: 0644]
src/gromacs/modularsimulator/nosehooverchains.h [new file with mode: 0644]
src/gromacs/modularsimulator/simulatoralgorithm.h
src/gromacs/modularsimulator/trotterhelperfunctions.h [new file with mode: 0644]
src/programs/mdrun/tests/simulator.cpp