Searched refs:forces_bp_efield (Results 1 – 7 of 7) sorted by relevance
/dports/science/plumed/plumed2-2.7.2/patches/qespresso-5.0.2.diff/PW/src/ |
H A D | forces.f90 | 61 forces_bp_efield(:,:), & local 172 ALLOCATE ( forces_bp_efield (3,nat) ) 173 forces_bp_efield(:,:)=0.d0 175 if(okvan) call forces_us_efield(forces_bp_efield,gdir,efield) 176 call forces_ion_efield(forces_bp_efield,gdir,efield) 180 call forces_us_efield(forces_bp_efield,ipol,efield_cry(ipol)) 184 call forces_ion_efield(forces_bp_efield,ipol,efield_cart(ipol)) 207 IF (lelfield) force(ipol,na) = force(ipol,na) + forces_bp_efield(ipol,na) 349 IF ( lelfield ) DEALLOCATE ( forces_bp_efield )
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H A D | forces.f90.preplumed | 61 forces_bp_efield(:,:), & 172 ALLOCATE ( forces_bp_efield (3,nat) ) 173 forces_bp_efield(:,:)=0.d0 175 if(okvan) call forces_us_efield(forces_bp_efield,gdir,efield) 176 call forces_ion_efield(forces_bp_efield,gdir,efield) 180 call forces_us_efield(forces_bp_efield,ipol,efield_cry(ipol)) 184 call forces_ion_efield(forces_bp_efield,ipol,efield_cart(ipol)) 207 IF (lelfield) force(ipol,na) = force(ipol,na) + forces_bp_efield(ipol,na) 347 IF ( lelfield ) DEALLOCATE ( forces_bp_efield )
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/dports/science/plumed/plumed2-2.7.2/patches/qespresso-6.2.diff/PW/src/ |
H A D | forces.f90 | 72 forces_bp_efield(:,:), & local 180 ALLOCATE ( forces_bp_efield (3,nat) ) 181 forces_bp_efield(:,:)=0.d0 183 if(okvan) call forces_us_efield(forces_bp_efield,gdir,efield) 184 call forces_ion_efield(forces_bp_efield,gdir,efield) 188 call forces_us_efield(forces_bp_efield,ipol,efield_cry(ipol)) 192 call forces_ion_efield(forces_bp_efield,ipol,efield_cart(ipol)) 221 IF (lelfield) force(ipol,na) = force(ipol,na) + forces_bp_efield(ipol,na) 406 IF ( lelfield ) DEALLOCATE ( forces_bp_efield )
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H A D | forces.f90.preplumed | 72 forces_bp_efield(:,:), & 180 ALLOCATE ( forces_bp_efield (3,nat) ) 181 forces_bp_efield(:,:)=0.d0 183 if(okvan) call forces_us_efield(forces_bp_efield,gdir,efield) 184 call forces_ion_efield(forces_bp_efield,gdir,efield) 188 call forces_us_efield(forces_bp_efield,ipol,efield_cry(ipol)) 192 call forces_ion_efield(forces_bp_efield,ipol,efield_cart(ipol)) 221 IF (lelfield) force(ipol,na) = force(ipol,na) + forces_bp_efield(ipol,na) 404 IF ( lelfield ) DEALLOCATE ( forces_bp_efield )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | forces.f90 | 70 forces_bp_efield(:,:),& local 177 ALLOCATE( forces_bp_efield(3,nat) ) 178 forces_bp_efield(:,:) = 0.d0 180 IF (okvan) CALL forces_us_efield( forces_bp_efield, gdir, efield ) 181 CALL forces_ion_efield( forces_bp_efield, gdir, efield ) 185 CALL forces_us_efield( forces_bp_efield, ipol, efield_cry(ipol) ) 189 CALL forces_ion_efield( forces_bp_efield, ipol, efield_cart(ipol) ) 218 IF (lelfield) force(ipol,na) = force(ipol,na) + forces_bp_efield(ipol,na) 401 IF ( lelfield ) DEALLOCATE( forces_bp_efield )
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H A D | make.depend | 680 forces_bp_efield.o : ../../Modules/becmod.o 683 forces_bp_efield.o : ../../Modules/fft_base.o 684 forces_bp_efield.o : ../../Modules/io_files.o 687 forces_bp_efield.o : ../../Modules/kind.o 690 forces_bp_efield.o : ../../Modules/noncol.o 691 forces_bp_efield.o : ../../Modules/recvec.o 694 forces_bp_efield.o : ../../UtilXlib/mp.o 696 forces_bp_efield.o : ../../upflib/uspp.o 697 forces_bp_efield.o : bp_mod.o 698 forces_bp_efield.o : buffers.o [all …]
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H A D | Makefile | 80 forces_bp_efield.o \
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