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edits to LZSH
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more exports, update LZSH algorithm, edit tests and fix parallelization
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@tjira
tjira committed Jul 23, 2024
1 parent 1978cea commit adfb3f4
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Showing 6 changed files with 174 additions and 165 deletions.
36 changes: 24 additions & 12 deletions CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -118,17 +118,29 @@ set_property(TEST qdyn_3d_HO_imaginary PROPERTY PASS_REGULAR_EXPRESSION "FINAL W
set_property(TEST qdyn_3d_HO_real PROPERTY PASS_REGULAR_EXPRESSION "FINAL WFN 00 ENERGY: 3.374795" )

# add random tests
add_test(NAME random_qdyn_1d_tully_1 COMMAND ${CMAKE_MAKE_PROGRAM} random_qdyn_1d_tully_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME random_cdyn_lz_1d_tully_1 COMMAND ${CMAKE_MAKE_PROGRAM} random_cdyn_lz_1d_tully_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME random_qdyn_1d_ds_1 COMMAND ${CMAKE_MAKE_PROGRAM} random_qdyn_1d_ds_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME random_cdyn_lz_1d_ds_1 COMMAND ${CMAKE_MAKE_PROGRAM} random_cdyn_lz_1d_ds_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME random_qdyn_1d_ts_1 COMMAND ${CMAKE_MAKE_PROGRAM} random_qdyn_1d_ts_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME random_cdyn_lz_1d_ts_1 COMMAND ${CMAKE_MAKE_PROGRAM} random_cdyn_lz_1d_ts_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME qdyn_1d_tully_1 COMMAND ${CMAKE_MAKE_PROGRAM} qdyn_1d_tully_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME cdyn_lz-dia_1d_tully_1 COMMAND ${CMAKE_MAKE_PROGRAM} cdyn_lz-dia_1d_tully_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME cdyn_lz-adia_1d_tully_1 COMMAND ${CMAKE_MAKE_PROGRAM} cdyn_lz-adia_1d_tully_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME qdyn_1d_tully_2 COMMAND ${CMAKE_MAKE_PROGRAM} qdyn_1d_tully_2 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME cdyn_lz-dia_1d_tully_2 COMMAND ${CMAKE_MAKE_PROGRAM} cdyn_lz-dia_1d_tully_2 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME cdyn_lz-adia_1d_tully_2 COMMAND ${CMAKE_MAKE_PROGRAM} cdyn_lz-adia_1d_tully_2 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME qdyn_1d_ds_1 COMMAND ${CMAKE_MAKE_PROGRAM} qdyn_1d_ds_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME cdyn_lz-dia_1d_ds_1 COMMAND ${CMAKE_MAKE_PROGRAM} cdyn_lz-dia_1d_ds_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME cdyn_lz-adia_1d_ds_1 COMMAND ${CMAKE_MAKE_PROGRAM} cdyn_lz-adia_1d_ds_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME qdyn_1d_ts_1 COMMAND ${CMAKE_MAKE_PROGRAM} qdyn_1d_ts_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME cdyn_lz-dia_1d_ts_1 COMMAND ${CMAKE_MAKE_PROGRAM} cdyn_lz-dia_1d_ts_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)
add_test(NAME cdyn_lz-adia_1d_ts_1 COMMAND ${CMAKE_MAKE_PROGRAM} cdyn_lz-adia_1d_ts_1 WORKING_DIRECTORY ${PROJECT_SOURCE_DIR}/example)

# add expected results of random tests
set_property(TEST random_qdyn_1d_tully_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.410505")
set_property(TEST random_cdyn_lz_1d_tully_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.488000")
set_property(TEST random_qdyn_1d_ds_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.960702")
set_property(TEST random_cdyn_lz_1d_ds_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.942000")
set_property(TEST random_qdyn_1d_ts_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.720077")
set_property(TEST random_cdyn_lz_1d_ts_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.720000")
set_property(TEST qdyn_1d_tully_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.410505")
set_property(TEST cdyn_lz-dia_1d_tully_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.509000")
set_property(TEST cdyn_lz-adia_1d_tully_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.488000")
set_property(TEST qdyn_1d_tully_2 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.024834")
set_property(TEST cdyn_lz-dia_1d_tully_2 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.175000")
set_property(TEST cdyn_lz-adia_1d_tully_2 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.142000")
set_property(TEST qdyn_1d_ds_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.960702")
set_property(TEST cdyn_lz-dia_1d_ds_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.916000")
set_property(TEST cdyn_lz-adia_1d_ds_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.942000")
set_property(TEST qdyn_1d_ts_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.720077")
set_property(TEST cdyn_lz-dia_1d_ts_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.708000")
set_property(TEST cdyn_lz-adia_1d_ts_1 PROPERTY PASS_REGULAR_EXPRESSION "ADIABATIC STATE 0 POP: 0.720000")
26 changes: 11 additions & 15 deletions education/mathematica/adiabatize.wls
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Original file line number Diff line number Diff line change
Expand Up @@ -24,17 +24,13 @@ PlotPotentials[Subscript[Ud,2,1],-8,8]
(*Double State #2*)


Subscript[Ud,2,2]:={
{(x+3)^2,0.001*Exp[-x^2]},
{0.001*Exp[-x^2],(x-3)^2}
};Subscript[Ud,2,2]//MatrixForm


PlotPotentials[Subscript[Ud,2,2],-8,8]
Subscript[Ud,2,1]:={
{0.001*x,0.001*Exp[-0.05*x^2]},
{0.001*Exp[-0.05*x^2],-0.001*x}
};Subscript[Ud,2,1]//MatrixForm


(* ::Input:: *)
(**)
PlotPotentials[Subscript[Ud,2,1],-8,8]


(* ::Subsubsection:: *)
Expand All @@ -56,9 +52,9 @@ PlotPotentials[Subscript[Ud,3,1],-12,12]


Subscript[Ud,3,2]:={
{0.01*Tanh[0.6*x],0.001*Exp[-x^2],0.001*Exp[-x^2]},
{0.001*Exp[-x^2],0,0.001*Exp[-x^2]},
{0.001*Exp[-x^2],0.001*Exp[-x^2],-0.01*Tanh[0.6*x]}
{0.001*x,0.001*Exp[-0.01*x^2],0.002*Exp[-0.01*x^2]},
{0.001*Exp[-0.01*x^2],0,0.001*Exp[-0.01*x^2]},
{0.002*Exp[-0.01*x^2],0.001*Exp[-0.01*x^2],-0.001*x}
};Subscript[Ud,3,2]//MatrixForm


Expand All @@ -70,9 +66,9 @@ PlotPotentials[Subscript[Ud,3,2],-8,8]


Subscript[Ud,3,3]:={
{(x+3)^2,0.001*Exp[-x^2],0.001*Exp[-x^2]},
{0.001*Exp[-x^2],x^2+9,0.001*Exp[-x^2]},
{0.001*Exp[-x^2],0.001*Exp[-x^2],(x-3)^2}
{0.01*Tanh[0.6*x],0.002*Exp[-x^2],0.001*Exp[-x^2]},
{0.002*Exp[-x^2],0,0.002*Exp[-x^2]},
{0.001*Exp[-x^2],0.002*Exp[-x^2],-0.01*Tanh[0.6*x]}
};Subscript[Ud,3,3]//MatrixForm


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