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Searched refs:scale_dEx2 (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dxc_adiabatic_methods.F57 scale_dEx2, total_energy_xc) argument
64 scale_dEx2, total_energy_xc local
121 scale_dEx2 = dExc_da*da_dEx2 + dExc_db*db_dEx2 + dExc_dc*dc_dEx2
126 scale_dEx1 = scale_dEx2
127 scale_dEx2 = swap_value
H A Dxc_adiabatic_utils.F85 scale_dEx2, total_energy_xc local
138 scale_dEx2, total_energy_xc)
145 scale_dEx2)
155 adiabatic_rescale_factor=scale_dEx2)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dxc_adiabatic_methods.F57 scale_dEx2, total_energy_xc) argument
64 scale_dEx2, total_energy_xc local
121 scale_dEx2 = dExc_da*da_dEx2 + dExc_db*db_dEx2 + dExc_dc*dc_dEx2
126 scale_dEx1 = scale_dEx2
127 scale_dEx2 = swap_value
H A Dxc_adiabatic_utils.F85 scale_dEx2, total_energy_xc local
137 scale_dEx2, total_energy_xc)
144 scale_dEx2)
152 adiabatic_rescale_factor=scale_dEx2)