LICENSE
MANIFEST.in
README.md
setup.cfg
setup.py
versioneer.py
vibrav/__init__.py
vibrav/_version.py
vibrav/base.py
vibrav.egg-info/PKG-INFO
vibrav.egg-info/SOURCES.txt
vibrav.egg-info/dependency_links.txt
vibrav.egg-info/top_level.txt
vibrav/adf/__init__.py
vibrav/adf/output.py
vibrav/adf/tests/test_adf_output.py
vibrav/core/__init__.py
vibrav/core/config.py
vibrav/core/tests/test_config.py
vibrav/molcas/__init__.py
vibrav/molcas/output.py
vibrav/molcas/tests/test_molcas_output.py
vibrav/numerical/__init__.py
vibrav/numerical/boltzmann.py
vibrav/numerical/degeneracy.py
vibrav/numerical/derivatives.py
vibrav/numerical/frequencies.py
vibrav/numerical/phases.py
vibrav/numerical/redmass.py
vibrav/numerical/vibronic_func.py
vibrav/numerical/vroa_func.py
vibrav/numerical/tests/test_boltzmann.py
vibrav/numerical/tests/test_degeneracy.py
vibrav/numerical/tests/test_derivatives.py
vibrav/numerical/tests/test_redmass.py
vibrav/numerical/tests/test_vibronic_func.py
vibrav/static/adf/ch4/adf-ch4-atom.csv.xz
vibrav/static/adf/ch4/adf-ch4-freq.t21.ascii.xz
vibrav/static/adf/ch4/adf-ch4-frequency.csv.xz
vibrav/static/adf/ethane/adf-ethane-atom.csv.xz
vibrav/static/adf/ethane/adf-ethane-frequency.csv.xz
vibrav/static/adf/ethane/adf-ethane-ts-freq.t21.ascii.xz
vibrav/static/adf/ubr6-1minus/adf-ubr-1minus-b3lyp-numeric-norm-modes-cart.csv.xz
vibrav/static/adf/ubr6-1minus/adf-ubr-1minus-b3lyp-numeric-norm-modes-mwc.csv.xz
vibrav/static/adf/ubr6-1minus/adf-ubr-1minus-b3lyp-numeric-redmass.txt.xz
vibrav/static/adf/ubr6-1minus/adf-ubr-1minus-pbe-numeric-norm-modes-cart.csv.xz
vibrav/static/adf/ubr6-1minus/adf-ubr-1minus-pbe-numeric-norm-modes-mwc.csv.xz
vibrav/static/adf/ubr6-1minus/adf-ubr-1minus-pbe-numeric-redmass.txt.xz
vibrav/static/gaussian/nitromalonamide/g16-nitromalonamide-freq.out.xz
vibrav/static/misc/h2o2-normal-modes.csv.bz2
vibrav/static/misc/boltzmann-tests/boltz-dist-full-test.csv.xz
vibrav/static/misc/displacements/h-atom.csv
vibrav/static/misc/displacements/h2-atom.csv
vibrav/static/misc/displacements/h2-atom_order.dat
vibrav/static/misc/displacements/h2-cart-disps.csv
vibrav/static/misc/displacements/h2-delta.dat
vibrav/static/misc/displacements/h2-eqcoord.dat
vibrav/static/misc/displacements/h2-freq.dat
vibrav/static/misc/displacements/h2-frequency.csv
vibrav/static/misc/displacements/h2-norm-disps.csv
vibrav/static/misc/displacements/h2-redmass.dat
vibrav/static/misc/displacements/h2-smatrix.dat
vibrav/static/misc/gen-delta-test/nien3-1-0.02-delta.dat.xz
vibrav/static/misc/gen-delta-test/nien3-1-0.02-freq.dat.xz
vibrav/static/misc/gen-delta-test/nien3-1-0.04-delta.dat.xz
vibrav/static/misc/gen-delta-test/nien3-1-0.04-freq.dat.xz
vibrav/static/misc/gen-delta-test/nien3-1-0.08-delta.dat.xz
vibrav/static/misc/gen-delta-test/nien3-1-0.08-freq.dat.xz
vibrav/static/misc/gen-delta-test/nien3-2-0.02-delta.dat.xz
vibrav/static/misc/gen-delta-test/nien3-2-0.02-freq.dat.xz
vibrav/static/misc/gen-delta-test/nien3-2-0.04-delta.dat.xz
vibrav/static/misc/gen-delta-test/nien3-2-0.04-freq.dat.xz
vibrav/static/misc/gen-delta-test/nien3-2-0.08-delta.dat.xz
vibrav/static/misc/gen-delta-test/nien3-2-0.08-freq.dat.xz
vibrav/static/misc/gen-delta-test/nien3-frequency-data.csv.xz
vibrav/static/misc/vibronic-test/ucl6-2minus-vibronic-delta.dat.xz
vibrav/static/misc/vibronic-test/ucl6-2minus-vibronic-eigvectors.txt.xz
vibrav/static/misc/vibronic-test/ucl6-2minus-vibronic-energies-SF.txt.xz
vibrav/static/misc/vibronic-test/ucl6-2minus-vibronic-energies.txt.xz
vibrav/static/misc/vibronic-test/ucl6-2minus-vibronic-freq.dat.xz
vibrav/static/misc/vibronic-test/ucl6-2minus-vibronic-full-hamil.csv.xz
vibrav/static/misc/vibronic-test/ucl6-2minus-vibronic-redmass.dat.xz
vibrav/static/misc/vibronic-test/ucl6-2minus-vibronic-ucl-rassi.out
vibrav/static/misc/vibronic-test/ucl6-2minus-vibronic-va.conf
vibrav/static/misc/vroa-test/h2o2-vroa-atom_order.dat.xz
vibrav/static/misc/vroa-test/h2o2-vroa-delta.dat.xz
vibrav/static/misc/vroa-test/h2o2-vroa-eqcoord.dat.xz
vibrav/static/misc/vroa-test/h2o2-vroa-final-scatter.csv.xz
vibrav/static/misc/vroa-test/h2o2-vroa-freq.dat.xz
vibrav/static/misc/vroa-test/h2o2-vroa-grad.csv.xz
vibrav/static/misc/vroa-test/h2o2-vroa-redmass.dat.xz
vibrav/static/misc/vroa-test/h2o2-vroa-roa.csv.xz
vibrav/static/misc/vroa-test/h2o2-vroa-smatrix.dat.xz
vibrav/static/misc/vroa-test/h2o2-vroa-va.conf
vibrav/static/misc/vroa-test/methyloxirane-vroa-atom_order.dat.xz
vibrav/static/misc/vroa-test/methyloxirane-vroa-delta.dat.xz
vibrav/static/misc/vroa-test/methyloxirane-vroa-eqcoord.dat.xz
vibrav/static/misc/vroa-test/methyloxirane-vroa-freq.dat.xz
vibrav/static/misc/vroa-test/methyloxirane-vroa-grad.csv.xz
vibrav/static/misc/vroa-test/methyloxirane-vroa-redmass.dat.xz
vibrav/static/misc/vroa-test/methyloxirane-vroa-roa.csv.xz
vibrav/static/misc/vroa-test/methyloxirane-vroa-smatrix.dat.xz
vibrav/static/misc/vroa-test/methyloxirane-vroa-va.conf
vibrav/static/misc/zpvc-test/nitromal-zpvc-atom_order.dat.xz
vibrav/static/misc/zpvc-test/nitromal-zpvc-delta.dat.xz
vibrav/static/misc/zpvc-test/nitromal-zpvc-eqcoord.dat.xz
vibrav/static/misc/zpvc-test/nitromal-zpvc-freq.dat.xz
vibrav/static/misc/zpvc-test/nitromal-zpvc-geometry.csv.xz
vibrav/static/misc/zpvc-test/nitromal-zpvc-grad.csv.xz
vibrav/static/misc/zpvc-test/nitromal-zpvc-nmr.csv.xz
vibrav/static/misc/zpvc-test/nitromal-zpvc-redmass.dat.xz
vibrav/static/misc/zpvc-test/nitromal-zpvc-results.csv.xz
vibrav/static/misc/zpvc-test/nitromal-zpvc-smatrix.dat.xz
vibrav/static/misc/zpvc-test/nitromal-zpvc-va.conf
vibrav/static/molcas/nichxn3/nichxn3-molcas-full-ham-sf.txt.xz
vibrav/static/molcas/nichxn3/nichxn3-molcas-sing-ham-sf.txt.xz
vibrav/static/molcas/nichxn3/nichxn3-molcas-trip-ham-sf.txt.xz
vibrav/static/molcas/nien/molcas-rassi-nien-degen-so-energy.csv.xz
vibrav/static/molcas/nien/molcas-rassi-nien-energy.csv.xz
vibrav/static/molcas/nien/molcas-rassi-nien-oscillators.csv.xz
vibrav/static/molcas/nien/molcas-rassi-nien-sf-angmom.csv.xz
vibrav/static/molcas/nien/molcas-rassi-nien-sf-dipole.csv.xz
vibrav/static/molcas/nien/molcas-rassi-nien-sf-quadrupole.csv.xz
vibrav/static/molcas/nien/molcas-rassi-nien.out.xz
vibrav/static/molcas/ucl6-2minus/molcas-ucl6-2minus-eigvectors.txt.xz
vibrav/static/molcas/ucl6-2minus/molcas-ucl6-2minus-energies.txt.xz
vibrav/static/molcas/ucl6-2minus/molcas-ucl6-2minus-oscillators.txt.xz
vibrav/static/molcas/ucl6-2minus/molcas-ucl6-2minus-sf-dipole-1.txt.xz
vibrav/static/molcas/ucl6-2minus/molcas-ucl6-2minus-so-angmom-1.txt.xz
vibrav/static/molcas/ucl6-2minus/molcas-ucl6-2minus-so-dipole-1.txt.xz
vibrav/static/molcas/ucl6-2minus/molcas-ucl6-2minus-vibronic-config
vibrav/util/__init__.py
vibrav/util/block_diagonal.py
vibrav/util/data_checking.py
vibrav/util/file_checking.py
vibrav/util/gen_displaced.py
vibrav/util/io.py
vibrav/util/math.py
vibrav/util/print.py
vibrav/util/tests/test_block_diagonal.py
vibrav/util/tests/test_data_checking.py
vibrav/util/tests/test_gen_displaced.py
vibrav/util/tests/test_io.py
vibrav/util/tests/test_math.py
vibrav/vibronic/__init__.py
vibrav/vibronic/combine_ham.py
vibrav/vibronic/vibronic.py
vibrav/vibronic/tests/test_vibronic.py
vibrav/vroa/__init__.py
vibrav/vroa/vroa.py
vibrav/vroa/tests/test_vroa.py
vibrav/zpvc/__init__.py
vibrav/zpvc/zpvc.py
vibrav/zpvc/tests/test_zpvc.py