| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/ |
| H A D | coor.h | 193 SetIntCoor();
194 SetIntCoor(StateIn&);
207 virtual ~SetIntCoor();
461 Ref<SetIntCoor> fixed_;
462 Ref<SetIntCoor> watched_;
466 Ref<SetIntCoor> bonds_;
467 Ref<SetIntCoor> bends_;
468 Ref<SetIntCoor> tors_;
469 Ref<SetIntCoor> outs_;
472 Ref<SetIntCoor> extras_;
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| H A D | coor.cc | 166 create<SetIntCoor>, create<SetIntCoor>, create<SetIntCoor>);
168 SetIntCoor::SetIntCoor() in SetIntCoor() function in SetIntCoor
172 SetIntCoor::SetIntCoor(const Ref<KeyVal>& keyval) in SetIntCoor() function in SetIntCoor
200 SetIntCoor::SetIntCoor(StateIn& s): in SetIntCoor() function in SetIntCoor
213 SetIntCoor::~SetIntCoor() in ~SetIntCoor()
218 SetIntCoor::save_data_state(StateOut& s) in save_data_state()
235 SetIntCoor::add(const Ref<SetIntCoor>& coor) in add()
243 SetIntCoor::pop() in pop()
249 SetIntCoor::n() const in n()
255 SetIntCoor::coor(int i) const in coor()
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| H A D | symmcoor.cc | 56 Ref<SetIntCoor> oldintcoor_;
57 Ref<SetIntCoor> newintcoor_;
64 const Ref<SetIntCoor>& oldintcoor,
65 const Ref<SetIntCoor>& newintcoor,
75 const Ref<SetIntCoor>& oldintcoor, in SymmCoorTransform()
76 const Ref<SetIntCoor>& newintcoor, in SymmCoorTransform()
295 Ref<SetIntCoor> saved_fixed_ = fixed_; in form_coordinates()
296 fixed_ = new SetIntCoor; in form_coordinates()
502 Ref<SetIntCoor> oldvariable = new SetIntCoor; in change_coordinates()
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| H A D | moltest.in | 37 coordinates<SetIntCoor>: [
206 fixed<SetIntCoor>: [
223 fixed<SetIntCoor>: [
263 fixed<SetIntCoor>: [
287 custom_simp<SetIntCoor>: [
319 generated_simp<SetIntCoor>: (
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| H A D | imcoor.cc | 178 all_ = new SetIntCoor; // all redundant coors in new_coords()
181 bonds_ = new SetIntCoor; in new_coords()
182 bends_ = new SetIntCoor; in new_coords()
183 tors_ = new SetIntCoor; in new_coords()
184 outs_ = new SetIntCoor; in new_coords()
185 extras_ = new SetIntCoor; in new_coords()
186 fixed_ = new SetIntCoor; in new_coords()
197 if (fixed_.null()) fixed_ = new SetIntCoor; in read_keyval()
274 Ref<SetIntCoor> redundant = new SetIntCoor; in init()
797 Ref<SetIntCoor> variable_and_constant = new SetIntCoor(); in all_to_cartesian()
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| H A D | taylor.h | 44 Ref<SetIntCoor> coordinates_;
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| H A D | moltest.cc | 192 Ref<SetIntCoor> simp; simp << kv->describedclassvalue("simp"); in main()
207 Ref<SetIntCoor> bmat_test; bmat_test << kv->describedclassvalue("bmat_test"); in main()
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| /dports/science/mpqc/mpqc-2.3.1/src/bin/mpqc/sample/ |
| H A D | mancoor.in | 37 variable<SetIntCoor>: [
59 fixed<SetIntCoor>: [
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| H A D | fixed.in | 30 fixed<SetIntCoor>: [
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| /dports/cad/gmsh/gmsh-4.9.2-source/contrib/bamg/ |
| H A D | bamg-gmsh.cpp | 243 Tn->SetIntCoor(); in msh2bamg()
345 Tn->SetIntCoor(); in msh2bamg()
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| /dports/math/freefem++/FreeFem-sources-4.6/src/femlib/ |
| H A D | BamgFreeFem.cpp | 291 Tn->SetIntCoor(); in msh2bamg()
388 Tn->SetIntCoor(); in msh2bamg()
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| /dports/science/mpqc/mpqc-2.3.1/src/bin/mpqc/ |
| H A D | mpqcoo.dox | 752 variable<SetIntCoor>: [
774 fixed<SetIntCoor>: [
924 fixed<SetIntCoor>: [
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| /dports/math/freefem++/FreeFem-sources-4.6/src/bamglib/ |
| H A D | MeshQuad.cpp | 834 SetIntCoor("In SplitElement"); in SplitElement()
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| H A D | MeshRead.cpp | 819 SetIntCoor( ); in Triangles()
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| H A D | Mesh2.cpp | 2378 SetIntCoor( ); in Insert()
3911 void Triangles::SetIntCoor(const char *strfrom) { in SetIntCoor() function in bamg::Triangles
4860 SetIntCoor( ); in Triangles()
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| H A D | Mesh2.h | 862 void SetIntCoor(const char *from = 0);
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| /dports/cad/gmsh/gmsh-4.9.2-source/contrib/bamg/bamglib/ |
| H A D | MeshQuad.cpp | 883 SetIntCoor("In SplitElement"); in SplitElement()
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| H A D | MeshRead.cpp | 906 SetIntCoor(); in Triangles()
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| H A D | Mesh2.cpp | 2432 SetIntCoor(); in Insert()
4056 void Triangles::SetIntCoor(const char * strfrom) in SetIntCoor() function in bamg::Triangles
5065 SetIntCoor(); in Triangles()
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| H A D | Mesh2.h | 811 void SetIntCoor(const char * from =0);
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