/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/ |
H A D | xsfplugin.cpp | 424 if (xsf->nvolsets > xsf->numvolmeta) { in open_xsf_read() 433 set = &(xsf->vol[xsf->nvolsets - 1]); in open_xsf_read() 526 } while (! (feof(xsf->fd) || ferror(xsf->fd))); in open_xsf_read() 640 printf("a= %12.8f b= %12.8f c= %12.8f\n", xsf->box.A, xsf->box.B, xsf->box.C); in read_xsf_structure() 658 } while (! (feof(xsf->fd) || ferror(xsf->fd))); in read_xsf_structure() 714 xf = xsf->invmat[0][0] * x + xsf->invmat[0][1] * y + xsf->invmat[0][2] * z; in read_xsf_timestep() 716 yf = xsf->invmat[1][0] * x + xsf->invmat[1][1] * y + xsf->invmat[1][2] * z; in read_xsf_timestep() 718 zf = xsf->invmat[2][0] * x + xsf->invmat[2][1] * y + xsf->invmat[2][2] * z; in read_xsf_timestep() 726 xf = xsf->invmat[0][0] * x + xsf->invmat[0][1] * y + xsf->invmat[0][2] * z; in read_xsf_timestep() 814 printf("a= %12.8f b= %12.8f c= %12.8f\n", xsf->box.A, xsf->box.B, xsf->box.C); in read_xsf_timestep() [all …]
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/dports/science/xcrysden/xcrysden-1.6.2/examples/ |
H A D | README | 120 1.xsf ... MOLECULAR #1 structure 121 1symb.xsf 122 2.xsf ... MOLECULAR #2 structure 125 CO_homo.xsf.gz ... CO molecule + HOMO orbital 126 CO_lumo.xsf.gz ... CO molecule + LUMO orbital 127 GaAsH.xsf ... H adsorbed on GaAs surface 129 ZnS.xsf ... ZnS.xsf fcc CRYSTAL structure 131 bucky.xsf ... bucky-ball structure 133 fcc-410-1x1.xsf ... an fcc-(410) surface 137 zro2cluster.xsf ... ZrO_2 cluster [all …]
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/dports/science/xcrysden/xcrysden-1.6.2/scripts/ |
H A D | pwo2xsf.sh | 64 if test -f xsf.$$ ; then rm -f xsf.$$; fi 118 cp xsf.$$ xsf2.$$ 119 nsteps=`grep PRIMCOORD xsf.$$ | wc | awk '{print $1}'` 120 echo "ANIMSTEPS $nsteps" > xsf.$$ 121 cat xsf2.$$ >> xsf.$$ 136 cat xsf.$$ 140 $PWO_XSF2XSF $ibrav < xsf.$$ 144 cat xsf.$$ 188 cat "$input" | awk -v t=$type -v dimen=$dim -f $scriptdir/pwo2xsf_opt.awk > xsf.$$ 231 -v onlyinit=$only_init -f $scriptdir/pwo2xsf_anim.awk > xsf.$$ [all …]
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/dports/science/v_sim/v_sim-3.8.0/lib/plug-ins/xsf/ |
H A D | Makefile.am | 5 libxsf_la_SOURCES = xsf.c xsf.h xsf_density.c xsf_density.h 12 XSF_EXAMPLE = cinchonidine.xsf.bz2 13 XSF_PIX = xsf.png 28 EXTRA_DIST = cinchonidine.xsf.bz2 xsf.png
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/dports/devel/allegro5/allegro5-5.2.7.0/src/ |
H A D | memblit.c | 169 float xsf[4], ysf[4]; in _al_draw_transformed_bitmap_memory() local 198 xsf[0] = 0; in _al_draw_transformed_bitmap_memory() 201 xsf[1] = dw; in _al_draw_transformed_bitmap_memory() 204 xsf[2] = 0; in _al_draw_transformed_bitmap_memory() 207 al_transform_coordinates(local_trans, &xsf[0], &ysf[0]); in _al_draw_transformed_bitmap_memory() 208 al_transform_coordinates(local_trans, &xsf[1], &ysf[1]); in _al_draw_transformed_bitmap_memory() 209 al_transform_coordinates(local_trans, &xsf[2], &ysf[2]); in _al_draw_transformed_bitmap_memory() 211 v[tl].x = xsf[0]; in _al_draw_transformed_bitmap_memory() 218 v[tr].x = xsf[1]; in _al_draw_transformed_bitmap_memory() 225 v[br].x = xsf[2] + xsf[1] - xsf[0]; in _al_draw_transformed_bitmap_memory() [all …]
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/dports/databases/mysql55-client/mysql-5.5.62/storage/ndb/src/kernel/blocks/dbdict/ |
H A D | printSchemaFile.cpp | 128 print(const char * filename, const SchemaFile * xsf, Uint32 sz) in print() argument 132 if (print_head(filename, xsf) != 0) in print() 136 if (xsf->FileSize != sz || xsf->FileSize % NDB_SF_PAGE_SIZE != 0) { in print() 137 ndbout << filename << ": invalid FileSize " << xsf->FileSize << endl; in print() 140 Uint32 noOfPages = xsf->FileSize / NDB_SF_PAGE_SIZE; in print() 145 const SchemaFile * sf = &xsf[n]; in print() 146 if (memcmp(sf->Magic, xsf->Magic, sizeof(sf->Magic)) != 0) { in print() 150 if (sf->FileSize != xsf->FileSize) { in print() 151 …name << ": page " << n << " FileSize changed to " << sf->FileSize << "!=" << xsf->FileSize << endl; in print()
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/dports/science/xcrysden/xcrysden-1.6.2/examples/Scripting/ |
H A D | plot_all_MO.sh | 52 for file in CO_homo.xsf.gz CO_lumo.xsf.gz 54 xcrysden --xsf $file --script MO-state.xcrysden --print ${file%.xsf.fz}.png
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/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/tests/ |
H A D | test_xcrysden.py | 25 xsf = XSF(structure) 26 self.assertTrue(structure, XSF.from_string(xsf.to_string())) 30 xsf = XSF(structure) 31 s = xsf.to_string() 47 s = xsf.to_string(atom_symbol=False)
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/dports/databases/percona56-server/percona-server-5.6.51-91.0/storage/ndb/src/kernel/blocks/dbdict/ |
H A D | printSchemaFile.cpp | 141 print(const char * filename, const SchemaFile * xsf, Uint32 sz) in print() argument 145 if (print_head(filename, xsf) != 0) in print() 149 if (xsf->FileSize != sz || xsf->FileSize % NDB_SF_PAGE_SIZE != 0) { in print() 150 ndbout << filename << ": invalid FileSize " << xsf->FileSize << endl; in print() 153 Uint32 noOfPages = xsf->FileSize / NDB_SF_PAGE_SIZE; in print() 158 const SchemaFile * sf = &xsf[n]; in print() 159 if (memcmp(sf->Magic, xsf->Magic, sizeof(sf->Magic)) != 0) { in print() 163 if (sf->FileSize != xsf->FileSize) { in print() 164 …name << ": page " << n << " FileSize changed to " << sf->FileSize << "!=" << xsf->FileSize << endl; in print()
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/dports/databases/percona56-client/percona-server-5.6.51-91.0/storage/ndb/src/kernel/blocks/dbdict/ |
H A D | printSchemaFile.cpp | 141 print(const char * filename, const SchemaFile * xsf, Uint32 sz) in print() argument 145 if (print_head(filename, xsf) != 0) in print() 149 if (xsf->FileSize != sz || xsf->FileSize % NDB_SF_PAGE_SIZE != 0) { in print() 150 ndbout << filename << ": invalid FileSize " << xsf->FileSize << endl; in print() 153 Uint32 noOfPages = xsf->FileSize / NDB_SF_PAGE_SIZE; in print() 158 const SchemaFile * sf = &xsf[n]; in print() 159 if (memcmp(sf->Magic, xsf->Magic, sizeof(sf->Magic)) != 0) { in print() 163 if (sf->FileSize != xsf->FileSize) { in print() 164 …name << ": page " << n << " FileSize changed to " << sf->FileSize << "!=" << xsf->FileSize << endl; in print()
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/dports/databases/percona-pam-for-mysql/percona-server-5.6.51-91.0/storage/ndb/src/kernel/blocks/dbdict/ |
H A D | printSchemaFile.cpp | 141 print(const char * filename, const SchemaFile * xsf, Uint32 sz) in print() argument 145 if (print_head(filename, xsf) != 0) in print() 149 if (xsf->FileSize != sz || xsf->FileSize % NDB_SF_PAGE_SIZE != 0) { in print() 150 ndbout << filename << ": invalid FileSize " << xsf->FileSize << endl; in print() 153 Uint32 noOfPages = xsf->FileSize / NDB_SF_PAGE_SIZE; in print() 158 const SchemaFile * sf = &xsf[n]; in print() 159 if (memcmp(sf->Magic, xsf->Magic, sizeof(sf->Magic)) != 0) { in print() 163 if (sf->FileSize != xsf->FileSize) { in print() 164 …name << ": page " << n << " FileSize changed to " << sf->FileSize << "!=" << xsf->FileSize << endl; in print()
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/dports/databases/percona57-server/percona-server-5.7.36-39/storage/ndb/src/kernel/blocks/dbdict/ |
H A D | printSchemaFile.cpp | 145 print(const char * filename, const SchemaFile * xsf, Uint32 sz) in print() argument 149 if (print_head(filename, xsf) != 0) in print() 153 if (xsf->FileSize != sz || xsf->FileSize % NDB_SF_PAGE_SIZE != 0) { in print() 154 ndbout << filename << ": invalid FileSize " << xsf->FileSize << endl; in print() 157 Uint32 noOfPages = xsf->FileSize / NDB_SF_PAGE_SIZE; in print() 162 const SchemaFile * sf = &xsf[n]; in print() 163 if (memcmp(sf->Magic, xsf->Magic, sizeof(sf->Magic)) != 0) { in print() 167 if (sf->FileSize != xsf->FileSize) { in print() 168 …name << ": page " << n << " FileSize changed to " << sf->FileSize << "!=" << xsf->FileSize << endl; in print()
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/dports/databases/percona57-pam-for-mysql/percona-server-5.7.36-39/storage/ndb/src/kernel/blocks/dbdict/ |
H A D | printSchemaFile.cpp | 145 print(const char * filename, const SchemaFile * xsf, Uint32 sz) in print() argument 149 if (print_head(filename, xsf) != 0) in print() 153 if (xsf->FileSize != sz || xsf->FileSize % NDB_SF_PAGE_SIZE != 0) { in print() 154 ndbout << filename << ": invalid FileSize " << xsf->FileSize << endl; in print() 157 Uint32 noOfPages = xsf->FileSize / NDB_SF_PAGE_SIZE; in print() 162 const SchemaFile * sf = &xsf[n]; in print() 163 if (memcmp(sf->Magic, xsf->Magic, sizeof(sf->Magic)) != 0) { in print() 167 if (sf->FileSize != xsf->FileSize) { in print() 168 …name << ": page " << n << " FileSize changed to " << sf->FileSize << "!=" << xsf->FileSize << endl; in print()
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/dports/databases/mysqlwsrep57-server/mysql-wsrep-wsrep_5.7.35-25.27/storage/ndb/src/kernel/blocks/dbdict/ |
H A D | printSchemaFile.cpp | 145 print(const char * filename, const SchemaFile * xsf, Uint32 sz) in print() argument 149 if (print_head(filename, xsf) != 0) in print() 153 if (xsf->FileSize != sz || xsf->FileSize % NDB_SF_PAGE_SIZE != 0) { in print() 154 ndbout << filename << ": invalid FileSize " << xsf->FileSize << endl; in print() 157 Uint32 noOfPages = xsf->FileSize / NDB_SF_PAGE_SIZE; in print() 162 const SchemaFile * sf = &xsf[n]; in print() 163 if (memcmp(sf->Magic, xsf->Magic, sizeof(sf->Magic)) != 0) { in print() 167 if (sf->FileSize != xsf->FileSize) { in print() 168 …name << ": page " << n << " FileSize changed to " << sf->FileSize << "!=" << xsf->FileSize << endl; in print()
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/dports/databases/percona57-client/percona-server-5.7.36-39/storage/ndb/src/kernel/blocks/dbdict/ |
H A D | printSchemaFile.cpp | 145 print(const char * filename, const SchemaFile * xsf, Uint32 sz) in print() argument 149 if (print_head(filename, xsf) != 0) in print() 153 if (xsf->FileSize != sz || xsf->FileSize % NDB_SF_PAGE_SIZE != 0) { in print() 154 ndbout << filename << ": invalid FileSize " << xsf->FileSize << endl; in print() 157 Uint32 noOfPages = xsf->FileSize / NDB_SF_PAGE_SIZE; in print() 162 const SchemaFile * sf = &xsf[n]; in print() 163 if (memcmp(sf->Magic, xsf->Magic, sizeof(sf->Magic)) != 0) { in print() 167 if (sf->FileSize != xsf->FileSize) { in print() 168 …name << ": page " << n << " FileSize changed to " << sf->FileSize << "!=" << xsf->FileSize << endl; in print()
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/dports/databases/xtrabackup/percona-xtrabackup-2.4.21/storage/ndb/src/kernel/blocks/dbdict/ |
H A D | printSchemaFile.cpp | 145 print(const char * filename, const SchemaFile * xsf, Uint32 sz) in print() argument 149 if (print_head(filename, xsf) != 0) in print() 153 if (xsf->FileSize != sz || xsf->FileSize % NDB_SF_PAGE_SIZE != 0) { in print() 154 ndbout << filename << ": invalid FileSize " << xsf->FileSize << endl; in print() 157 Uint32 noOfPages = xsf->FileSize / NDB_SF_PAGE_SIZE; in print() 162 const SchemaFile * sf = &xsf[n]; in print() 163 if (memcmp(sf->Magic, xsf->Magic, sizeof(sf->Magic)) != 0) { in print() 167 if (sf->FileSize != xsf->FileSize) { in print() 168 …name << ": page " << n << " FileSize changed to " << sf->FileSize << "!=" << xsf->FileSize << endl; in print()
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/dports/databases/mysqlwsrep56-server/mysql-wsrep-wsrep_5.6.51-25.33/storage/ndb/src/kernel/blocks/dbdict/ |
H A D | printSchemaFile.cpp | 141 print(const char * filename, const SchemaFile * xsf, Uint32 sz) in print() argument 145 if (print_head(filename, xsf) != 0) in print() 149 if (xsf->FileSize != sz || xsf->FileSize % NDB_SF_PAGE_SIZE != 0) { in print() 150 ndbout << filename << ": invalid FileSize " << xsf->FileSize << endl; in print() 153 Uint32 noOfPages = xsf->FileSize / NDB_SF_PAGE_SIZE; in print() 158 const SchemaFile * sf = &xsf[n]; in print() 159 if (memcmp(sf->Magic, xsf->Magic, sizeof(sf->Magic)) != 0) { in print() 163 if (sf->FileSize != xsf->FileSize) { in print() 164 …name << ": page " << n << " FileSize changed to " << sf->FileSize << "!=" << xsf->FileSize << endl; in print()
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/dports/databases/mysql56-client/mysql-5.6.51/storage/ndb/src/kernel/blocks/dbdict/ |
H A D | printSchemaFile.cpp | 141 print(const char * filename, const SchemaFile * xsf, Uint32 sz) in print() argument 145 if (print_head(filename, xsf) != 0) in print() 149 if (xsf->FileSize != sz || xsf->FileSize % NDB_SF_PAGE_SIZE != 0) { in print() 150 ndbout << filename << ": invalid FileSize " << xsf->FileSize << endl; in print() 153 Uint32 noOfPages = xsf->FileSize / NDB_SF_PAGE_SIZE; in print() 158 const SchemaFile * sf = &xsf[n]; in print() 159 if (memcmp(sf->Magic, xsf->Magic, sizeof(sf->Magic)) != 0) { in print() 163 if (sf->FileSize != xsf->FileSize) { in print() 164 …name << ": page " << n << " FileSize changed to " << sf->FileSize << "!=" << xsf->FileSize << endl; in print()
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/dports/science/xcrysden/xcrysden-1.6.2/examples/PWSCF_files/lattices.d/ |
H A D | test.sh | 49 $PWI $pwi > $pwi.xsf 50 $PWO -ic $pwo > $pwo.xsf 52 tkdiff $pwi.xsf $pwo.xsf
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/dports/databases/xtrabackup8/percona-xtrabackup-8.0.14/storage/ndb/src/kernel/blocks/dbdict/ |
H A D | printSchemaFile.cpp | 149 print(const char * filename, const SchemaFile * xsf, Uint32 sz) in print() argument 153 if (print_head(filename, xsf) != 0) in print() 157 if (xsf->FileSize != sz || xsf->FileSize % NDB_SF_PAGE_SIZE != 0) { in print() 158 ndbout << filename << ": invalid FileSize " << xsf->FileSize << endl; in print() 161 Uint32 noOfPages = xsf->FileSize / NDB_SF_PAGE_SIZE; in print() 166 const SchemaFile * sf = &xsf[n]; in print() 167 if (memcmp(sf->Magic, xsf->Magic, sizeof(sf->Magic)) != 0) { in print() 171 if (sf->FileSize != xsf->FileSize) { in print() 172 …name << ": page " << n << " FileSize changed to " << sf->FileSize << "!=" << xsf->FileSize << endl; in print()
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/dports/science/octopus/octopus-10.5/testsuite/linear_response/ |
H A D | 01-casida.test | 108 match ; 1st eps-diff force 1 2 ; LINEFIELD(casida/eps_diff_excitations/forces_00001.xsf, 2, 6) ; 0.0 111 match ; 1st Pet force 1 1 ; LINEFIELD(casida/petersilka_excitations/forces_00001.xsf, 2, 5) ; -0.24… 112 match ; 1st Pet force 1 2 ; LINEFIELD(casida/petersilka_excitations/forces_00001.xsf, 2, 6) ; 0.0 113 match ; 9th Pet force 1 1 ; LINEFIELD(casida/petersilka_excitations/forces_00009.xsf, 2, 5) ; -0.16… 115 match ; 1st TDA force 1 1 ; LINEFIELD(casida/tamm_dancoff_excitations/forces_00001.xsf, 2, 5) ; -0.… 116 match ; 1st TDA force 1 2 ; LINEFIELD(casida/tamm_dancoff_excitations/forces_00001.xsf, 2, 6) ; 0.0 158 match ; 1st eps-diff force 1 2 ; LINEFIELD(casida/eps_diff_excitations/forces_00001.xsf, 2, 6) ; 0.0 161 match ; 1st Pet force 1 1 ; LINEFIELD(casida/petersilka_excitations/forces_00001.xsf, 2, 5) ; -0.24… 162 match ; 1st Pet force 1 2 ; LINEFIELD(casida/petersilka_excitations/forces_00001.xsf, 2, 6) ; 0.0 163 match ; 9th Pet force 1 1 ; LINEFIELD(casida/petersilka_excitations/forces_00009.xsf, 2, 5) ; -0.02… [all …]
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/dports/science/xcrysden/xcrysden-1.6.2/Tcl/ |
H A D | xsf2Open.tcl | 114 upvar $xsfVar xsf 120 set xsf [file rootname $xsf2].xsf 121 if { [string match $xsf2 $xsf] } { 122 set xsf $xsf2.xsf 125 return [xcCatchExec $xcMisc(xsf2_manipulator) $xsf2 $xsf]
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/dports/devel/plan9port/plan9port-1f098efb7370a0b28306d10681e21883fb1c1507/src/cmd/smugfs/ |
H A D | fs.c | 1253 SmugFid *sf, xsf; in dodirgen() local 1259 xsf = *sf; in dodirgen() 1278 xsf.type = Qnick; in dodirgen() 1279 xsf.nickid = i; in dodirgen() 1292 xsf.category = id; in dodirgen() 1300 xsf.type = Qalbum; in dodirgen() 1301 xsf.album = id; in dodirgen() 1302 xsf.albumkey = key; in dodirgen() 1314 xsf.upload = u; in dodirgen() 1322 xsf.type = Qimage; in dodirgen() [all …]
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/dports/java/openjdk11/jdk11u-jdk-11.0.13-8-1/src/java.xml/share/classes/com/sun/org/apache/xml/internal/dtm/ |
H A D | DTMManager.java | 78 public void setXMLStringFactory(XMLStringFactory xsf) in setXMLStringFactory() argument 80 m_xsf = xsf; in setXMLStringFactory() 100 public static DTMManager newInstance(XMLStringFactory xsf) in newInstance() argument 104 factoryImpl.setXMLStringFactory(xsf); in newInstance()
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/dports/java/openjdk13/jdk13u-jdk-13.0.10-1-1/src/java.xml/share/classes/com/sun/org/apache/xml/internal/dtm/ |
H A D | DTMManager.java | 78 public void setXMLStringFactory(XMLStringFactory xsf) in setXMLStringFactory() argument 80 m_xsf = xsf; in setXMLStringFactory() 100 public static DTMManager newInstance(XMLStringFactory xsf) in newInstance() argument 104 factoryImpl.setXMLStringFactory(xsf); in newInstance()
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