Home
last modified time | relevance | path

Searched refs:geom_3d (Results 1 – 25 of 46) sorted by relevance

12

/dports/science/nwchem-data/nwchem-7.0.2-release/src/geom/
H A DGNUmakefile8 OBJ = geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o \
13 USES_BLAS = geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F geom_2d.F
H A DMakeFile9 $(OBJDIR)\geom_3d.obj \
H A Dgeom_3d.F18 subroutine geom_3d(geom,c2au) subroutine
H A Dgeom_input.F1603 call geom_3d(geom,scale)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/geom/
H A DGNUmakefile8 OBJ = geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o \
13 USES_BLAS = geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F geom_2d.F
H A DMakeFile9 $(OBJDIR)\geom_3d.obj \
H A Dgeom_3d.F18 subroutine geom_3d(geom,c2au) subroutine
H A Dgeom_input.F1603 call geom_3d(geom,scale)
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/band/
H A Dband.out.old119 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
158 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
177 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
365 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
393 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
395 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
568 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
596 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
598 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
817 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
[all …]
H A Dband.out186 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/band/
H A Dband.out.old119 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
158 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
177 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
365 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
393 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
395 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
568 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
596 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
598 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
817 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
[all …]
H A Dband.out190 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/pspw_SiC/
H A Dpspw_SiC.out.old118 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
183 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
185 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
414 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
H A Dpspw_SiC.out.pre5118 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/pspw_SiC/
H A Dpspw_SiC.out.old118 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
183 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
185 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
414 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/pspw_stress/
H A Dpspw_stress.out.old119 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
159 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
178 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
1275 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
1299 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
1301 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
1377 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
1396 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
2533 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
2541 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
[all …]
H A Dpspw_stress.out.pre5118 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
H A Dpspw_stress.out.pre63142 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/pspw_stress/
H A Dpspw_stress.out.old119 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
159 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
178 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
1275 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
1299 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
1301 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
1377 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
1396 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
2533 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
2541 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
[all …]
H A Dpspw_stress.out.pre5118 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
H A Dpspw_stress.out.pre63142 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
/dports/science/lammps/lammps-stable_29Sep2021/examples/COUPLE/lammps_nwchem/planewave/
H A Dnwchem_lammps.out.W.3Oct19148 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
H A Dnwchem_lammps.out.W.min.3Oct19148 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
H A Dnwchem_lammps.out118 !!!!!!!!! geom_3d NEEDS TESTING !!!!!!!!!!
/dports/databases/spatialite/libspatialite-5.0.1/src/gaiageo/
H A Dgg_advanced.c3486 do_point_drape_coords (int srid, double x, double y, gaiaGeomCollPtr geom_3d) in do_point_drape_coords() argument
3489 gaiaPointPtr pt_3d = geom_3d->FirstPoint; in do_point_drape_coords()

12