README.rst
pyproject.toml
setup.cfg
setup.py
bin/i-pi
bin/i-pi-committee-reweight
bin/i-pi-contract-trajectory
bin/i-pi-get_Ascp
bin/i-pi-getacf
bin/i-pi-getproperty
bin/i-pi-gleacf
bin/i-pi-kinetic2tag
bin/i-pi-mergebeadspdb
bin/i-pi-mux-positions
bin/i-pi-paraweights
bin/i-pi-planetary
bin/i-pi-posforce2kinetic
bin/i-pi-py_driver
bin/i-pi-remdsort
bin/i-pi-style
bin/i-pi-tests
bin/i-pi-trimsim
drivers/py/__init__.py
drivers/py/driver.py
drivers/py/pes/__init__.py
drivers/py/pes/dummy.py
drivers/py/pes/harmonic.py
i_PI.egg-info/PKG-INFO
i_PI.egg-info/SOURCES.txt
i_PI.egg-info/dependency_links.txt
i_PI.egg-info/requires.txt
i_PI.egg-info/top_level.txt
ipi/__init__.py
ipi/engine/__init__.py
ipi/engine/atoms.py
ipi/engine/barostats.py
ipi/engine/beads.py
ipi/engine/cell.py
ipi/engine/ensembles.py
ipi/engine/forcefields.py
ipi/engine/forces.py
ipi/engine/initializer.py
ipi/engine/normalmodes.py
ipi/engine/outputs.py
ipi/engine/properties.py
ipi/engine/simulation.py
ipi/engine/system.py
ipi/engine/thermostats.py
ipi/engine/motion/__init__.py
ipi/engine/motion/al6xxx_kmc.py
ipi/engine/motion/alchemy.py
ipi/engine/motion/atomswap.py
ipi/engine/motion/constrained_dynamics.py
ipi/engine/motion/dynamics.py
ipi/engine/motion/geop.py
ipi/engine/motion/instanton.py
ipi/engine/motion/motion.py
ipi/engine/motion/multi.py
ipi/engine/motion/neb.py
ipi/engine/motion/phonons.py
ipi/engine/motion/planetary.py
ipi/engine/motion/ramp.py
ipi/engine/motion/replay.py
ipi/engine/motion/scphonons.py
ipi/engine/motion/vscf.py
ipi/engine/smotion/__init__.py
ipi/engine/smotion/metad.py
ipi/engine/smotion/multi.py
ipi/engine/smotion/remd.py
ipi/engine/smotion/smotion.py
ipi/external/__init__.py
ipi/external/importlib/__init__.py
ipi/external/importlib/bundledimportlib.py
ipi/inputs/__init__.py
ipi/inputs/atoms.py
ipi/inputs/barostats.py
ipi/inputs/beads.py
ipi/inputs/cell.py
ipi/inputs/ensembles.py
ipi/inputs/forcefields.py
ipi/inputs/forces.py
ipi/inputs/initializer.py
ipi/inputs/interface.py
ipi/inputs/normalmodes.py
ipi/inputs/outputs.py
ipi/inputs/prng.py
ipi/inputs/simulation.py
ipi/inputs/system.py
ipi/inputs/thermostats.py
ipi/inputs/motion/__init__.py
ipi/inputs/motion/al6xxx_kmc.py
ipi/inputs/motion/alchemy.py
ipi/inputs/motion/atomswap.py
ipi/inputs/motion/constrained_dynamics.py
ipi/inputs/motion/dynamics.py
ipi/inputs/motion/geop.py
ipi/inputs/motion/instanton.py
ipi/inputs/motion/motion.py
ipi/inputs/motion/neb.py
ipi/inputs/motion/phonons.py
ipi/inputs/motion/planetary.py
ipi/inputs/motion/ramp.py
ipi/inputs/motion/scphonons.py
ipi/inputs/motion/vscf.py
ipi/inputs/smotion/__init__.py
ipi/inputs/smotion/metad.py
ipi/inputs/smotion/remd.py
ipi/inputs/smotion/smotion.py
ipi/interfaces/__init__.py
ipi/interfaces/sockets.py
ipi/utils/__init__.py
ipi/utils/constrtools.py
ipi/utils/decorators.py
ipi/utils/depend.py
ipi/utils/exchange.py
ipi/utils/hesstools.py
ipi/utils/inputvalue.py
ipi/utils/instools.py
ipi/utils/mathtools.py
ipi/utils/messages.py
ipi/utils/mintools.py
ipi/utils/nmtransform.py
ipi/utils/phonontools.py
ipi/utils/prng.py
ipi/utils/softexit.py
ipi/utils/sparse.py
ipi/utils/units.py
ipi/utils/io/__init__.py
ipi/utils/io/io_units.py
ipi/utils/io/backends/__init__.py
ipi/utils/io/backends/io_binary.py
ipi/utils/io/backends/io_json.py
ipi/utils/io/backends/io_pdb.py
ipi/utils/io/backends/io_xyz.py
ipi/utils/io/inputs/__init__.py
ipi/utils/io/inputs/io_xml.py
ipi_tests/__init__.py
ipi_tests/test_tools.py
ipi_tests/regression_tests/__init__.py
ipi_tests/regression_tests/runstools.py
ipi_tests/regression_tests/test_run.py
ipi_tests/regression_tests/tests/NVE/NVE_1/harmonic_python/files_to_check.txt
ipi_tests/regression_tests/tests/NVE/NVE_1/harmonic_python/init.xyz
ipi_tests/regression_tests/tests/NVE/NVE_1/harmonic_python/input.xml
ipi_tests/regression_tests/tests/NVE/NVE_1/harmonic_python/ref_simulation.frc_c.xyz
ipi_tests/regression_tests/tests/NVE/NVE_1/harmonic_python/ref_simulation.mom_c.xyz
ipi_tests/regression_tests/tests/NVE/NVE_1/harmonic_python/ref_simulation.out
ipi_tests/regression_tests/tests/NVE/NVE_1/harmonic_python/ref_simulation.pos_c.xyz
ipi_tests/regression_tests/tests/NVE/NVE_1/harmonic_python/ref_simulation.vel_c.xyz
ipi_tests/regression_tests/tests/NVE/NVE_1/harmonic_python/test_settings.dat
licenses/license_GPL.txt
licenses/license_MIT.txt