| /dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/system/ |
| H A D | Molecular_system.cpp | 239 sample->getIonPos(i,r1); in calcLoc()
243 sample->getIonPos(j,r2); in calcLoc()
276 sample->getIonPos(i,pos); in calcLoc()
403 sample->getIonPos(ion, r_ion); in locDerivative()
409 sample->getIonPos(j,R); in locDerivative()
440 getIonPos(i,ionpos); in getBounds()
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| H A D | SHO_system.h | 60 virtual void getIonPos(int i, Array1 <doublevar> & pos) { in getIonPos() function
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| H A D | Ring_system.h | 85 virtual void getIonPos(int i, Array1 <doublevar> & pos) { in getIonPos() function
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| H A D | Ring_sample.h | 85 void getIonPos(const int ion, Array1 <doublevar> & r) { in getIonPos() function
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| H A D | SHO_sample.h | 84 void getIonPos(const int ion, Array1 <doublevar> & r) { in getIonPos() function
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| H A D | System.h | 133 virtual void getIonPos(int i, Array1 <doublevar> & pos)=0;
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| H A D | Molecular_sample.h | 75 void getIonPos(const int ion, Array1 <doublevar> & r) in getIonPos() function
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| H A D | Molecular_system.h | 71 virtual void getIonPos(int i, Array1 <doublevar> & pos) { in getIonPos() function
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| H A D | HEG_sample.h | 99 void getIonPos(const int ion, Array1 <doublevar> & r) in getIonPos() function
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| H A D | System.cpp | 166 sys->getIonPos(i, pos); in write_xyz()
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| H A D | HEG_system.h | 89 virtual void getIonPos(int i, Array1 <doublevar> & pos) { in getIonPos() function
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| H A D | Periodic_sample.h | 98 void getIonPos(const int ion, Array1 <doublevar> & r) in getIonPos() function
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| H A D | Sample_point.h | 155 virtual void getIonPos(const int ion, Array1 <doublevar> & pos)=0;
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| H A D | Periodic_system.h | 84 virtual void getIonPos(int i, Array1 <doublevar> & pos) { in getIonPos() function
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| H A D | Periodic_system.cpp | 448 getIonPos(at, ion_pos); in read()
470 getIonPos(ion, oldr); in setIonPos()
776 sample->getIonPos(ion, rion); in calcLocWithTestPos()
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| H A D | Pseudopotential.cpp | 478 sample->getIonPos(at, ionpos); in calcPseudoSeparated()
646 sample->getIonPos(at, ionpos); in calcNonlocWithAllvariables()
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| H A D | Periodic_sample.cpp | 443 getIonPos(ion, oldr); in moveIon()
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| H A D | Pseudopotential_so.cpp | 443 sample->getIonPos(at, ionpos); in calcPseudoSeparated()
642 sample->getIonPos(at, ionpos); in calcNonlocWithAllvariables()
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| /dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/properties/ |
| H A D | Space_warper.cpp | 155 refsample->getIonPos(at, refionpos); in space_warp()
157 sample->getIonPos(at, newionpos); in space_warp()
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| H A D | Average_quadrupole.cpp | 29 sample->getIonPos(at,pos); in evaluate()
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| H A D | Average_region_fluctuation.cpp | 331 sys->getIonPos(i,pos); in read()
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| /dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/method/ |
| H A D | Nodes_method.cpp | 90 sysprop->getIonPos(i,ionpos); in read()
199 mywalker->getIonPos(i, pos); in run()
302 mywalker->getIonPos(at,pos); in run()
454 mywalker->getIonPos(at,pos); in run()
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| H A D | Plot_method.cpp | 175 sysprop->getIonPos(i,ionpos); in read()
417 mywalker->getIonPos(at,pos); in run()
434 mywalker->getIonPos(at,pos); in run()
476 mywalker->getIonPos(at,pos); in run()
667 mywalker->getIonPos(at,pos); in plot_tbdm_file()
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| /dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/attic/ |
| H A D | Onebody_int_method.cpp | 334 mywalker->getIonPos(at,pos); in run()
365 mywalker->getIonPos(at,pos); in run()
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| H A D | Md_method.cpp | 245 sys->getIonPos(at, temppos); in run()
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