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34 lines
1.1 KiB
Fortran
34 lines
1.1 KiB
Fortran
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BEGIN_PROVIDER[double precision, energy_x_new_functional, (N_states) ]
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&BEGIN_PROVIDER[double precision, energy_c_new_functional, (N_states) ]
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implicit none
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BEGIN_DOC
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! energy_x_new_functional = define here your functional
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! energy_c_new_functional = define here your functional
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END_DOC
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energy_x_new_functional = 0.d0
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energy_c_new_functional = 0.d0
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if(trim(new_exchange_functional)=="your_new_keyword")then
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energy_x_new_functional = 0.d0 ! replace by your new provider
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else if(new_exchange_functional.EQ."None")then
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energy_x_new_functional = 0.d0 ! replace by your new provider
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else
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print*, 'Exchange functional required does not exist ...'
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print*,'new_exchange_functional',new_exchange_functional
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stop
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endif
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if(trim(new_correlation_functional)=="your_new_keyword")then
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energy_c_new_functional = 0.d0 ! replace by your new provider
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else if(new_correlation_functional.EQ."None")then
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energy_c_new_functional = 0.d0 ! replace by your new provider
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else
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print*, 'Correlation functional required does not exist ...'
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print*,'new_correlation_functional',new_correlation_functional
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stop
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endif
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END_PROVIDER
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