| /dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
| H A D | deviatoric.f90 | 18 REAL(dp), INTENT(in) :: at_old(3,3) local
23 tr = tr - (at_old(1,1)+at_old(2,2)+at_old(3,3))/3.d0
31 CALL volume (1.d0, at_old(1,1), at_old(1,2), at_old(1,3), omega_old)
47 REAL(dp), INTENT(in) :: at_old(3,3) local
52 CALL volume (1.d0, at_old(1,1), at_old(1,2), at_old(1,3), omega_old)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
| H A D | symmetrize_at.f90 | 14 USE cellmd, ONLY : at_old, lmovecell
77 CALL recips( at_old(1,1), at_old(1,2), at_old(1,3), &
93 sat(icar,lpol) = at_old(icar,1) * s(lpol,1,irot) &
94 + at_old(icar,2) * s(lpol,2,irot) &
95 + at_old(icar,3) * s(lpol,3,irot)
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| H A D | scale_h.f90 | 19 USE cellmd, ONLY : at_old, omega_old
41 CALL cryst_to_cart( nkstot, xk, at_old, - 1 )
44 CALL cryst_to_cart( nks_start, xk_start, at_old, - 1 )
64 CALL cryst_to_cart( ngm, g, at_old, - 1 )
95 CALL exx_gvec_reinit( at_old )
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| H A D | hinit0.f90 | 18 USE cellmd, ONLY : omega_old, at_old, lmovecell
52 at_old = at
62 CALL read_conf_from_file( lmovecell, nat, nsp, tau, alat_old, at_old )
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| H A D | move_ions.f90 | 34 USE cellmd, ONLY : omega_old, at_old, lmovecell, calc
104 at_old = at
352 CALL mp_bcast( at_old, ionode_id, intra_image_comm )
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| H A D | run_driver.f90 | 24 USE cellmd, ONLY : omega_old, at_old, calc, lmovecell
198 at_old = at
387 CALL mp_bcast( at_old, ionode_id, intra_image_comm )
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| H A D | vcsmd.f90 | 37 USE cellmd, ONLY : nzero, ntimes, calc, at_old, omega_old, &
263 at_old = at
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| H A D | pwcom.f90 | 396 REAL(DP) :: at_old(3,3) variable
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| H A D | exx.f90 | 242 SUBROUTINE exx_gvec_reinit( at_old ) argument
250 REAL(DP), INTENT(IN) :: at_old(3,3) local
260 CALL cryst_to_cart( dfftt%ngm, gt, at_old, -1 )
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| /dports/science/openbabel/openbabel-3.1.1/src/formats/libinchi/ |
| H A D | ichilnct.c | 201 inchi_Atom *at_old = NULL; in INChIToInchi_Input() local
218 …at_old = orig_at_data? orig_at_data->atom : NULL; /* save pointer to the previous allo… in INChIToInchi_Input()
244 if ( !at_old ) { in INChIToInchi_Input()
254 … memcpy( orig_at_data->atom, at_old, orig_at_data->num_atoms * sizeof(orig_at_data->atom[0]) ); in INChIToInchi_Input()
262 FreeInchi_Atom( &at_old ); in INChIToInchi_Input()
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| /dports/games/0verkill/0verkill-0.16/ |
| H A D | blit.c | 196 unsigned char *sc, *sc_old, *at, *at_old; in blit_screen() local
204 at_old=(TRI_D_ON&&tri_d)?screen2_a_old:screen_a_old; in blit_screen()
209 at_old=screen_a_old; in blit_screen()
222 attribute_old=at_old[x+yof]; in blit_screen()
271 memcpy(at_old,at,SCREEN_X*SCREEN_Y); in blit_screen()
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| /dports/science/openbabel/openbabel-3.1.1/include/inchi/ |
| H A D | aux2atom.h | 2385 inchi_Atom *at_old = NULL; in INChIToInchi_Input() local
2402 …at_old = orig_at_data? orig_at_data->atom : NULL; /* save pointer to the previous allo… in INChIToInchi_Input()
2428 if ( !at_old ) { in INChIToInchi_Input()
2438 … memcpy( orig_at_data->atom, at_old, orig_at_data->num_atoms * sizeof(orig_at_data->atom[0]) ); in INChIToInchi_Input()
2446 FreeInchi_Atom( &at_old ); in INChIToInchi_Input()
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