Searched refs:debug_energy (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | ewalds_multipole.F | 1314 r_energy, debug_energy local
1367 CALL debug_ewald_multipole_low(particle_set, cell, nonbond_env, multipoles, debug_energy, &
1370 WRITE (iw, *) "DEBUG ENERGY (CHARGE-CHARGE): ", debug_energy
1401 CALL debug_ewald_multipole_low(particle_set, cell, nonbond_env, multipoles, debug_energy, &
1404 WRITE (iw, *) "DEBUG ENERGY (CHARGE-DIPOLE): ", debug_energy
1433 CALL debug_ewald_multipole_low(particle_set, cell, nonbond_env, multipoles, debug_energy, &
1436 WRITE (iw, *) "DEBUG ENERGY (DIPOLE-DIPOLE): ", debug_energy
1467 CALL debug_ewald_multipole_low(particle_set, cell, nonbond_env, multipoles, debug_energy, &
1470 WRITE (iw, *) "DEBUG ENERGY (CHARGE-QUADRUPOLE): ", debug_energy
1504 WRITE (iw, *) "DEBUG ENERGY (DIPOLE-QUADRUPOLE): ", debug_energy
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | ewalds_multipole.F | 1317 r_energy, debug_energy local
1370 CALL debug_ewald_multipole_low(particle_set, cell, nonbond_env, multipoles, debug_energy, &
1373 WRITE (iw, *) "DEBUG ENERGY (CHARGE-CHARGE): ", debug_energy
1404 CALL debug_ewald_multipole_low(particle_set, cell, nonbond_env, multipoles, debug_energy, &
1407 WRITE (iw, *) "DEBUG ENERGY (CHARGE-DIPOLE): ", debug_energy
1436 CALL debug_ewald_multipole_low(particle_set, cell, nonbond_env, multipoles, debug_energy, &
1439 WRITE (iw, *) "DEBUG ENERGY (DIPOLE-DIPOLE): ", debug_energy
1470 CALL debug_ewald_multipole_low(particle_set, cell, nonbond_env, multipoles, debug_energy, &
1473 WRITE (iw, *) "DEBUG ENERGY (CHARGE-QUADRUPOLE): ", debug_energy
1507 WRITE (iw, *) "DEBUG ENERGY (DIPOLE-QUADRUPOLE): ", debug_energy
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