| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | cp_ddapc_methods.F | 198 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: g_dot_rvec_sin, g_dot_rvec_cos local
237 … g_dot_rvec_sin(ig - s_dim + 1, iparticle1)*g_dot_rvec_sin(ig - s_dim + 1, iparticle2))
378 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: g_dot_rvec_sin, g_dot_rvec_cos local
478 SUBROUTINE cleanup_g_dot_rvec_sin_cos(g_dot_rvec_sin, g_dot_rvec_cos) argument
479 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: g_dot_rvec_sin, g_dot_rvec_cos local
484 IF (ALLOCATED(g_dot_rvec_sin)) DEALLOCATE (g_dot_rvec_sin)
500 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: g_dot_rvec_sin, g_dot_rvec_cos local
519 ALLOCATE (g_dot_rvec_sin(1:igmax - s_dim + 1, SIZE(particle_set)))
526 g_dot_rvec_sin(ig - s_dim + 1, iparticle) = SIN(g_dot_rvec)
569 g_dot_rvec_sin local
[all …]
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| H A D | cp_ddapc_util.F | 232 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: dbv, g_dot_rvec_cos, g_dot_rvec_sin local
414 CALL prep_g_dot_rvec_sin_cos(rho_tot_g, particle_set, gcut, g_dot_rvec_sin, g_dot_rvec_cos)
425 nparticles, g_dot_rvec_sin, g_dot_rvec_cos)
480 CALL cleanup_g_dot_rvec_sin_cos(g_dot_rvec_sin, g_dot_rvec_cos)
785 g_dot_rvec_sin local
799 CALL prep_g_dot_rvec_sin_cos(rho_tot_g, particle_set, gcut, g_dot_rvec_sin, g_dot_rvec_cos)
805 particle_set, radii, rho_tot_g, gcut, g_dot_rvec_sin, g_dot_rvec_cos)
810 particle_set, radii, rho_tot_g, gcut, g_dot_rvec_sin, g_dot_rvec_cos)
829 CALL cleanup_g_dot_rvec_sin_cos(g_dot_rvec_sin, g_dot_rvec_cos)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | cp_ddapc_methods.F | 198 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: g_dot_rvec_sin, g_dot_rvec_cos local
237 … g_dot_rvec_sin(ig - s_dim + 1, iparticle1)*g_dot_rvec_sin(ig - s_dim + 1, iparticle2))
378 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: g_dot_rvec_sin, g_dot_rvec_cos local
478 SUBROUTINE cleanup_g_dot_rvec_sin_cos(g_dot_rvec_sin, g_dot_rvec_cos) argument
479 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: g_dot_rvec_sin, g_dot_rvec_cos local
484 IF (ALLOCATED(g_dot_rvec_sin)) DEALLOCATE (g_dot_rvec_sin)
500 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: g_dot_rvec_sin, g_dot_rvec_cos local
519 ALLOCATE (g_dot_rvec_sin(1:igmax - s_dim + 1, SIZE(particle_set)))
526 g_dot_rvec_sin(ig - s_dim + 1, iparticle) = SIN(g_dot_rvec)
569 g_dot_rvec_sin local
[all …]
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| H A D | cp_ddapc_util.F | 232 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: dbv, g_dot_rvec_cos, g_dot_rvec_sin local
414 CALL prep_g_dot_rvec_sin_cos(rho_tot_g, particle_set, gcut, g_dot_rvec_sin, g_dot_rvec_cos)
425 nparticles, g_dot_rvec_sin, g_dot_rvec_cos)
480 CALL cleanup_g_dot_rvec_sin_cos(g_dot_rvec_sin, g_dot_rvec_cos)
785 g_dot_rvec_sin local
799 CALL prep_g_dot_rvec_sin_cos(rho_tot_g, particle_set, gcut, g_dot_rvec_sin, g_dot_rvec_cos)
805 particle_set, radii, rho_tot_g, gcut, g_dot_rvec_sin, g_dot_rvec_cos)
810 particle_set, radii, rho_tot_g, gcut, g_dot_rvec_sin, g_dot_rvec_cos)
829 CALL cleanup_g_dot_rvec_sin_cos(g_dot_rvec_sin, g_dot_rvec_cos)
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