| /dports/science/gromacs/gromacs-2021.4/tests/physicalvalidation/physical_validation/data/ |
| H A D | observable_data.py | 65 kinetic_energy=None, potential_energy=None, total_energy=None, argument
145 def potential_energy(self): member in ObservableData
150 def potential_energy(self, potential_energy): argument
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmmx_types.F | 40 SUBROUTINE qmmmx_env_get(qmmmx_env, subsys, potential_energy, kinetic_energy) argument
43 REAL(KIND=dp), INTENT(OUT), OPTIONAL :: potential_energy, kinetic_energy local
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| H A D | qmmm_types.F | 48 SUBROUTINE qmmm_env_get(qmmm_env, subsys, potential_energy, kinetic_energy) argument
51 REAL(KIND=dp), INTENT(OUT), OPTIONAL :: potential_energy, kinetic_energy local
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| H A D | force_env_types.F | 303 … meta_env, fp_env, subsys, para_env, potential_energy, additional_potential, & argument
315 … REAL(KIND=dp), INTENT(OUT), OPTIONAL :: potential_energy, additional_potential, & local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmmx_types.F | 40 SUBROUTINE qmmmx_env_get(qmmmx_env, subsys, potential_energy, kinetic_energy) argument
43 REAL(KIND=dp), INTENT(OUT), OPTIONAL :: potential_energy, kinetic_energy local
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| H A D | qmmm_types.F | 48 SUBROUTINE qmmm_env_get(qmmm_env, subsys, potential_energy, kinetic_energy) argument
51 REAL(KIND=dp), INTENT(OUT), OPTIONAL :: potential_energy, kinetic_energy local
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| H A D | force_env_types.F | 303 … meta_env, fp_env, subsys, para_env, potential_energy, additional_potential, & argument
315 … REAL(KIND=dp), INTENT(OUT), OPTIONAL :: potential_energy, additional_potential, & local
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| /dports/math/py-sympy/sympy-1.9/sympy/physics/mechanics/ |
| H A D | particle.py | 202 def potential_energy(self): member in Particle
222 def potential_energy(self, scalar): member in Particle
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| H A D | rigidbody.py | 269 def potential_energy(self): member in RigidBody
292 def potential_energy(self, scalar): member in RigidBody
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| H A D | functions.py | 303 def potential_energy(*body): function
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| /dports/math/py-sympy/sympy-1.9/doc/src/modules/physics/mechanics/api/ |
| H A D | part_bod.rst | 49 potential_energy chapter
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MDI/ |
| H A D | fix_mdi_engine.h | 47 double potential_energy; // stores potential energy variable
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| H A D | fix_mdi_engine.cpp | 571 double potential_energy = pe->compute_scalar(); in send_energy() local
601 double potential_energy = pe->compute_scalar(); in send_pe() local
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| /dports/science/madness/madness-ebb3fd7/src/examples/ |
| H A D | hatom_1d.cc | 129 double potential_energy = inner(Vnuc,rho); in main() local
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| H A D | 3dharmonic.cc | 145 double potential_energy = inner(phi,V*phi); // <phi|Vphi> = <phi|V|phi> in energy() local
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| H A D | nonlinschro.cc | 190 double potential_energy = inner(rho, v); in iterate() local
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| H A D | he.cc | 161 double kinetic_energy = 0.0, potential_energy = 0.0, overlap; in energy() local
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| /dports/science/lammps/lammps-stable_29Sep2021/lib/atc/ |
| H A D | ATC_CouplingMomentum.cpp | 399 double ATC_CouplingMomentum::potential_energy(const IntegrationDomainType domain) const in potential_energy() function in ATC::ATC_CouplingMomentum
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| H A D | ATC_CouplingMomentumEnergy.cpp | 358 double ATC_CouplingMomentumEnergy::potential_energy(void) in potential_energy() function in ATC::ATC_CouplingMomentumEnergy
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/atc/ |
| H A D | ATC_CouplingMomentum.cpp | 399 double ATC_CouplingMomentum::potential_energy(const IntegrationDomainType domain) const in potential_energy() function in ATC::ATC_CouplingMomentum
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| H A D | ATC_CouplingMomentumEnergy.cpp | 356 double ATC_CouplingMomentumEnergy::potential_energy(void) in potential_energy() function in ATC::ATC_CouplingMomentumEnergy
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
| H A D | gopt_f77_methods.F | 93 REAL(KIND=dp) :: f_ts, potential_energy local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
| H A D | gopt_f77_methods.F | 93 REAL(KIND=dp) :: f_ts, potential_energy local
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| /dports/math/py-yt/yt-4.0.1/yt/frontends/ramses/ |
| H A D | fields.py | 211 def potential_energy(field, data): function
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/colvars/ |
| H A D | colvar.h | 467 cvm::real potential_energy; variable
|