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example_h2_all_methods.md

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How to execute

Type Parameters Description Output
Execution example
molecule method ao_labels
H2All available methodsH 1s
How to execute one molecule (by name) with all available methods T gate cost

Command

python main.py h2 all 'H 1s'

'H 1s' is an optional parameter only used in `sparsity_low_rank'. If not included, the method will be executed with the active space being the whole space.

Output

#####################################################################
##                             TFermion                            ##
##                                                                 ##
##  A non-Clifford gate cost assessment library of quantum phase   ##
##            estimation algorithms for quantum chemistry          ##
#####################################################################

<i> HF energy, MP2 energy, CCSD energy -1.0948079628605116 -1.1152126817738928 -1.126778370572339
<i> RESULT => The cost to calculate the energy of H2 with method QDRIFT is 6.24e+16 T gates
<i> RESULT => The cost to calculate the energy of H2 with method RAND_HAM is 3.04e+17 T gates
<i> RESULT => The cost to calculate the energy of H2 with method TAYLOR_NAIVE is 4.13e+13 T gates
<i> RESULT => The cost to calculate the energy of H2 with method TAYLOR_ON_THE_FLY is 2.21e+27 T gates
<i> RESULT => The cost to calculate the energy of H2 with method CONFIGURATION_INTERACTION is 4.70e+36 T gates
<i> RESULT => The cost to calculate the energy of H2 with method LOW_DEPTH_TROTTER is 7.10e+22 T gates
<i> RESULT => The cost to calculate the energy of H2 with method SHC_TROTTER is 1.37e+22 T gates
<i> RESULT => The cost to calculate the energy of H2 with method LOW_DEPTH_TAYLOR is 2.18e+15 T gates
<i> RESULT => The cost to calculate the energy of H2 with method LOW_DEPTH_TAYLOR_ON_THE_FLY is 8.75e+22 T gates
<i> RESULT => The cost to calculate the energy of H2 with method LINEAR_T is 2.70e+13 T gates
<i> RESULT => The cost to calculate the energy of H2 with method SPARSITY_LOW_RANK is 8.65e+09 T gates
<i> RESULT => The cost to calculate the energy of H2 with method INTERACTION_PICTURE is 2.10e+18 T gates

** -------------------------------------------------- **
**                                                    **
** Execution time     => 0:00:39.631718  in hh:mm:ss  **
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