Merge branch 'master' into dielectric-updates

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# Conflicts:
#	src/DIELECTRIC/Install.sh
#	src/DIELECTRIC/pppm_disp_dielectric.cpp
#	src/DIELECTRIC/pppm_disp_dielectric.h

...

This commit is contained in:

Axel Kohlmeyer

2021-07-03 15:27:57 -04:00

parent bee95e41ae 3b480397d1

commit 430e7e962f

3160 changed files with 4660 additions and 22782 deletions

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examples/USER/adios/balance/adios2_config.xml → examples/PACKAGES/adios/balance/adios2_config.xml

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examples/USER/adios/balance/in.adios_balance → examples/PACKAGES/adios/balance/in.adios_balance

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examples/USER/adios/balance/in.adios_balance2 → examples/PACKAGES/adios/balance/in.adios_balance2

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examples/USER/adios/balance/log.balance → examples/PACKAGES/adios/balance/log.balance

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examples/USER/adios/rerun/README → examples/PACKAGES/adios/rerun/README

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examples/USER/adios/rerun/adios2_config.xml → examples/PACKAGES/adios/rerun/adios2_config.xml

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examples/USER/adios/rerun/in.first → examples/PACKAGES/adios/rerun/in.first

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examples/USER/adios/rerun/in.read_dump → examples/PACKAGES/adios/rerun/in.read_dump

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examples/USER/adios/rerun/in.rerun → examples/PACKAGES/adios/rerun/in.rerun

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examples/USER/adios/rerun/log.20Jan20.first.g++.7.4 → examples/PACKAGES/adios/rerun/log.20Jan20.first.g++.7.4

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examples/USER/adios/rerun/log.20Jan20.read_dump.g++.7.4 → examples/PACKAGES/adios/rerun/log.20Jan20.read_dump.g++.7.4

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examples/USER/adios/rerun/log.20Jan20.rerun.g++.7.4 → examples/PACKAGES/adios/rerun/log.20Jan20.rerun.g++.7.4

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examples/USER/atc/README → examples/PACKAGES/atc/README

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examples/USER/atc/cauchy_born/Ar_CauchyBorn.mat → examples/PACKAGES/atc/cauchy_born/Ar_CauchyBorn.mat

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examples/USER/atc/cauchy_born/Ar_CauchyBorn_linear.mat → examples/PACKAGES/atc/cauchy_born/Ar_CauchyBorn_linear.mat

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examples/USER/atc/cauchy_born/Au_CauchyBorn.mat → examples/PACKAGES/atc/cauchy_born/Au_CauchyBorn.mat

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examples/USER/atc/cauchy_born/Au_CauchyBorn_linear.mat → examples/PACKAGES/atc/cauchy_born/Au_CauchyBorn_linear.mat

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examples/USER/atc/cauchy_born/Au_eam.mat → examples/PACKAGES/atc/cauchy_born/Au_eam.mat

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examples/USER/atc/cauchy_born/Au_eam_linear.mat → examples/PACKAGES/atc/cauchy_born/Au_eam_linear.mat

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examples/USER/atc/cauchy_born/Au_u3.eam → examples/PACKAGES/atc/cauchy_born/Au_u3.eam

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examples/USER/atc/cauchy_born/Cu_CauchyBorn.mat → examples/PACKAGES/atc/cauchy_born/Cu_CauchyBorn.mat

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examples/USER/atc/cauchy_born/cb_biaxial.screen → examples/PACKAGES/atc/cauchy_born/cb_biaxial.screen

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examples/USER/atc/cauchy_born/cb_shear.screen → examples/PACKAGES/atc/cauchy_born/cb_shear.screen

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examples/USER/atc/cauchy_born/cb_unistrain.screen → examples/PACKAGES/atc/cauchy_born/cb_unistrain.screen

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examples/USER/atc/cauchy_born/cb_unistrain_eam.screen → examples/PACKAGES/atc/cauchy_born/cb_unistrain_eam.screen

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examples/USER/atc/cauchy_born/cb_unistrain_eam_linear.screen → examples/PACKAGES/atc/cauchy_born/cb_unistrain_eam_linear.screen

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examples/USER/atc/cauchy_born/cb_unistrain_linear.screen → examples/PACKAGES/atc/cauchy_born/cb_unistrain_linear.screen

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examples/USER/atc/cauchy_born/cb_volumetric.screen → examples/PACKAGES/atc/cauchy_born/cb_volumetric.screen

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examples/USER/atc/cauchy_born/flying_cube.screen → examples/PACKAGES/atc/cauchy_born/flying_cube.screen

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examples/USER/atc/cauchy_born/ftcb_constV.screen → examples/PACKAGES/atc/cauchy_born/ftcb_constV.screen

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examples/USER/atc/cauchy_born/ftcb_constV_setup.init → examples/PACKAGES/atc/cauchy_born/ftcb_constV_setup.init

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examples/USER/atc/cauchy_born/in.cb_biaxial → examples/PACKAGES/atc/cauchy_born/in.cb_biaxial

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examples/USER/atc/cauchy_born/in.cb_shear → examples/PACKAGES/atc/cauchy_born/in.cb_shear

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examples/USER/atc/cauchy_born/in.cb_unistrain → examples/PACKAGES/atc/cauchy_born/in.cb_unistrain

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examples/USER/atc/cauchy_born/in.cb_unistrain_eam → examples/PACKAGES/atc/cauchy_born/in.cb_unistrain_eam

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examples/USER/atc/cauchy_born/in.cb_unistrain_eam_linear → examples/PACKAGES/atc/cauchy_born/in.cb_unistrain_eam_linear

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examples/USER/atc/cauchy_born/in.cb_unistrain_linear → examples/PACKAGES/atc/cauchy_born/in.cb_unistrain_linear

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examples/USER/atc/cauchy_born/in.cb_volumetric → examples/PACKAGES/atc/cauchy_born/in.cb_volumetric

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examples/USER/atc/cauchy_born/in.flying_cube → examples/PACKAGES/atc/cauchy_born/in.flying_cube

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examples/USER/atc/cauchy_born/in.ftcb_constV → examples/PACKAGES/atc/cauchy_born/in.ftcb_constV

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examples/USER/atc/cauchy_born/in.read_xref → examples/PACKAGES/atc/cauchy_born/in.read_xref

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examples/USER/atc/cauchy_born/read_xref.screen → examples/PACKAGES/atc/cauchy_born/read_xref.screen

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examples/USER/atc/cauchy_born/read_xref_0.data → examples/PACKAGES/atc/cauchy_born/read_xref_0.data

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examples/USER/atc/cauchy_born/read_xref_1.init → examples/PACKAGES/atc/cauchy_born/read_xref_1.init

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examples/USER/atc/drift_diffusion/Ar_ddm.mat → examples/PACKAGES/atc/drift_diffusion/Ar_ddm.mat

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examples/USER/atc/drift_diffusion/CNT_ddm.mat → examples/PACKAGES/atc/drift_diffusion/CNT_ddm.mat

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examples/USER/atc/drift_diffusion/Cu_cddm.mat → examples/PACKAGES/atc/drift_diffusion/Cu_cddm.mat

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examples/USER/atc/drift_diffusion/SiGe_ddm_schrodinger.mat → examples/PACKAGES/atc/drift_diffusion/SiGe_ddm_schrodinger.mat

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examples/USER/atc/drift_diffusion/SiVacuum_cddm_schrodinger.mat → examples/PACKAGES/atc/drift_diffusion/SiVacuum_cddm_schrodinger.mat

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examples/USER/atc/drift_diffusion/SiVacuum_ddm_schrodinger.mat → examples/PACKAGES/atc/drift_diffusion/SiVacuum_ddm_schrodinger.mat

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examples/USER/atc/drift_diffusion/Si_ddm.mat → examples/PACKAGES/atc/drift_diffusion/Si_ddm.mat

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examples/USER/atc/drift_diffusion/Si_ddm_eq.mat → examples/PACKAGES/atc/drift_diffusion/Si_ddm_eq.mat

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examples/USER/atc/drift_diffusion/Si_ddm_schrodinger.mat → examples/PACKAGES/atc/drift_diffusion/Si_ddm_schrodinger.mat

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examples/USER/atc/drift_diffusion/Si_ddm_thermopower.mat → examples/PACKAGES/atc/drift_diffusion/Si_ddm_thermopower.mat

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examples/USER/atc/drift_diffusion/convective_pulse.screen → examples/PACKAGES/atc/drift_diffusion/convective_pulse.screen

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examples/USER/atc/drift_diffusion/ddm_schrodinger.screen → examples/PACKAGES/atc/drift_diffusion/ddm_schrodinger.screen

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examples/USER/atc/drift_diffusion/finite_well.screen → examples/PACKAGES/atc/drift_diffusion/finite_well.screen

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examples/USER/atc/drift_diffusion/in.convective_pulse → examples/PACKAGES/atc/drift_diffusion/in.convective_pulse

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examples/USER/atc/drift_diffusion/in.ddm_schrodinger → examples/PACKAGES/atc/drift_diffusion/in.ddm_schrodinger

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examples/USER/atc/drift_diffusion/in.finite_well → examples/PACKAGES/atc/drift_diffusion/in.finite_well

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examples/USER/atc/drift_diffusion/in.no_atoms_ddm → examples/PACKAGES/atc/drift_diffusion/in.no_atoms_ddm

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examples/USER/atc/drift_diffusion/in.null_material_ddm → examples/PACKAGES/atc/drift_diffusion/in.null_material_ddm

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examples/USER/atc/drift_diffusion/in.poisson1d_noatoms → examples/PACKAGES/atc/drift_diffusion/in.poisson1d_noatoms

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examples/USER/atc/drift_diffusion/in.poisson2d_noatoms → examples/PACKAGES/atc/drift_diffusion/in.poisson2d_noatoms

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examples/USER/atc/drift_diffusion/in.schrodinger-poisson2d_Jconstraint → examples/PACKAGES/atc/drift_diffusion/in.schrodinger-poisson2d_Jconstraint

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examples/USER/atc/drift_diffusion/in.schrodinger-poisson2d_convective → examples/PACKAGES/atc/drift_diffusion/in.schrodinger-poisson2d_convective

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examples/USER/atc/drift_diffusion/in.schrodinger-poisson2d_noatoms → examples/PACKAGES/atc/drift_diffusion/in.schrodinger-poisson2d_noatoms

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examples/USER/atc/drift_diffusion/no_atoms_ddm.screen → examples/PACKAGES/atc/drift_diffusion/no_atoms_ddm.screen

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examples/USER/atc/drift_diffusion/null_material_ddm.screen → examples/PACKAGES/atc/drift_diffusion/null_material_ddm.screen

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examples/USER/atc/drift_diffusion/poisson1d_noatoms.screen → examples/PACKAGES/atc/drift_diffusion/poisson1d_noatoms.screen

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examples/USER/atc/drift_diffusion/poisson2d_noatoms.screen → examples/PACKAGES/atc/drift_diffusion/poisson2d_noatoms.screen

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examples/USER/atc/drift_diffusion/schrodinger-poisson2d_Jconstraint.screen → examples/PACKAGES/atc/drift_diffusion/schrodinger-poisson2d_Jconstraint.screen

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examples/USER/atc/drift_diffusion/schrodinger-poisson2d_convective.screen → examples/PACKAGES/atc/drift_diffusion/schrodinger-poisson2d_convective.screen

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examples/USER/atc/drift_diffusion/schrodinger-poisson2d_noatoms.screen → examples/PACKAGES/atc/drift_diffusion/schrodinger-poisson2d_noatoms.screen

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examples/USER/atc/elastic/Ar_CauchyBorn.mat → examples/PACKAGES/atc/elastic/Ar_CauchyBorn.mat

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examples/USER/atc/elastic/Ar_CauchyBornLinear.mat → examples/PACKAGES/atc/elastic/Ar_CauchyBornLinear.mat

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examples/USER/atc/elastic/Ar_damped.mat → examples/PACKAGES/atc/elastic/Ar_damped.mat

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examples/USER/atc/elastic/Ar_elastic.mat → examples/PACKAGES/atc/elastic/Ar_elastic.mat

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examples/USER/atc/elastic/Ar_thermo_elastic.mat → examples/PACKAGES/atc/elastic/Ar_thermo_elastic.mat

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examples/USER/atc/elastic/Au_elastic.mat → examples/PACKAGES/atc/elastic/Au_elastic.mat

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examples/USER/atc/elastic/CNT.mat → examples/PACKAGES/atc/elastic/CNT.mat

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examples/USER/atc/elastic/CNT_electrostatic.mat → examples/PACKAGES/atc/elastic/CNT_electrostatic.mat

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examples/USER/atc/elastic/CNT_electrostatic2.mat → examples/PACKAGES/atc/elastic/CNT_electrostatic2.mat

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examples/USER/atc/elastic/CNT_id.mat → examples/PACKAGES/atc/elastic/CNT_id.mat

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examples/USER/atc/elastic/bar1d.screen → examples/PACKAGES/atc/elastic/bar1d.screen

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examples/USER/atc/elastic/bar1d_damped.screen → examples/PACKAGES/atc/elastic/bar1d_damped.screen

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examples/USER/atc/elastic/bar1d_flux.screen → examples/PACKAGES/atc/elastic/bar1d_flux.screen

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examples/USER/atc/elastic/bar1d_frac_step.screen → examples/PACKAGES/atc/elastic/bar1d_frac_step.screen

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examples/USER/atc/elastic/bar1d_ghost_flux.screen → examples/PACKAGES/atc/elastic/bar1d_ghost_flux.screen

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examples/USER/atc/elastic/bar1d_thermo_elastic.screen → examples/PACKAGES/atc/elastic/bar1d_thermo_elastic.screen

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examples/USER/atc/elastic/cnt_electrostatic.screen → examples/PACKAGES/atc/elastic/cnt_electrostatic.screen

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examples/USER/atc/elastic/cnt_electrostatic2.screen → examples/PACKAGES/atc/elastic/cnt_electrostatic2.screen

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examples/USER/atc/elastic/cnt_fixed_charge.screen → examples/PACKAGES/atc/elastic/cnt_fixed_charge.screen

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examples/USER/atc/elastic/eam_energy.screen → examples/PACKAGES/atc/elastic/eam_energy.screen

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examples/USER/atc/elastic/electron_density.screen → examples/PACKAGES/atc/elastic/electron_density.screen

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examples/USER/atc/elastic/electrostatic_bending.screen → examples/PACKAGES/atc/elastic/electrostatic_bending.screen

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examples/USER/atc/elastic/electrostatic_bending_dos.screen → examples/PACKAGES/atc/elastic/electrostatic_bending_dos.screen

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examples/USER/atc/elastic/in.bar1d → examples/PACKAGES/atc/elastic/in.bar1d

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examples/USER/atc/elastic/in.bar1d_damped → examples/PACKAGES/atc/elastic/in.bar1d_damped

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examples/USER/atc/elastic/in.bar1d_flux → examples/PACKAGES/atc/elastic/in.bar1d_flux

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