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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dpwdft_environment.F62 PUBLIC :: pwdft_init, pwdft_calc_energy_force
214 SUBROUTINE pwdft_calc_energy_force(pwdft_env, calculate_forces, calculate_stress) subroutine
273 END SUBROUTINE pwdft_calc_energy_force
H A Dforce_env_methods.F140 USE pwdft_environment, ONLY: pwdft_calc_energy_force
264 … CALL pwdft_calc_energy_force(force_env%pwdft_env, calculate_forces,.NOT. virial%pv_numer)
266 CALL pwdft_calc_energy_force(force_env%pwdft_env, calculate_forces, .FALSE.)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dpwdft_environment.F62 PUBLIC :: pwdft_init, pwdft_calc_energy_force
214 SUBROUTINE pwdft_calc_energy_force(pwdft_env, calculate_forces, calculate_stress) subroutine
273 END SUBROUTINE pwdft_calc_energy_force
H A Dforce_env_methods.F143 USE pwdft_environment, ONLY: pwdft_calc_energy_force
273 … CALL pwdft_calc_energy_force(force_env%pwdft_env, calculate_forces,.NOT. virial%pv_numer)
275 CALL pwdft_calc_energy_force(force_env%pwdft_env, calculate_forces, .FALSE.)