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/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/
H A Dxsfplugin.cpp424 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 …]
/dports/science/xcrysden/xcrysden-1.6.2/examples/
H A DREADME120 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 …]
/dports/science/xcrysden/xcrysden-1.6.2/scripts/
H A Dpwo2xsf.sh64 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 …]
/dports/science/v_sim/v_sim-3.8.0/lib/plug-ins/xsf/
H A DMakefile.am5 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
/dports/devel/allegro5/allegro5-5.2.7.0/src/
H A Dmemblit.c169 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 …]
/dports/databases/mysql55-client/mysql-5.5.62/storage/ndb/src/kernel/blocks/dbdict/
H A DprintSchemaFile.cpp128 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()
/dports/science/xcrysden/xcrysden-1.6.2/examples/Scripting/
H A Dplot_all_MO.sh52 for file in CO_homo.xsf.gz CO_lumo.xsf.gz
54 xcrysden --xsf $file --script MO-state.xcrysden --print ${file%.xsf.fz}.png
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/tests/
H A Dtest_xcrysden.py25 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)
/dports/databases/percona56-server/percona-server-5.6.51-91.0/storage/ndb/src/kernel/blocks/dbdict/
H A DprintSchemaFile.cpp141 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()
/dports/databases/percona56-client/percona-server-5.6.51-91.0/storage/ndb/src/kernel/blocks/dbdict/
H A DprintSchemaFile.cpp141 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()
/dports/databases/percona-pam-for-mysql/percona-server-5.6.51-91.0/storage/ndb/src/kernel/blocks/dbdict/
H A DprintSchemaFile.cpp141 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()
/dports/databases/percona57-server/percona-server-5.7.36-39/storage/ndb/src/kernel/blocks/dbdict/
H A DprintSchemaFile.cpp145 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()
/dports/databases/percona57-pam-for-mysql/percona-server-5.7.36-39/storage/ndb/src/kernel/blocks/dbdict/
H A DprintSchemaFile.cpp145 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()
/dports/databases/mysqlwsrep57-server/mysql-wsrep-wsrep_5.7.35-25.27/storage/ndb/src/kernel/blocks/dbdict/
H A DprintSchemaFile.cpp145 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()
/dports/databases/percona57-client/percona-server-5.7.36-39/storage/ndb/src/kernel/blocks/dbdict/
H A DprintSchemaFile.cpp145 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()
/dports/databases/xtrabackup/percona-xtrabackup-2.4.21/storage/ndb/src/kernel/blocks/dbdict/
H A DprintSchemaFile.cpp145 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()
/dports/databases/mysqlwsrep56-server/mysql-wsrep-wsrep_5.6.51-25.33/storage/ndb/src/kernel/blocks/dbdict/
H A DprintSchemaFile.cpp141 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()
/dports/databases/mysql56-client/mysql-5.6.51/storage/ndb/src/kernel/blocks/dbdict/
H A DprintSchemaFile.cpp141 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()
/dports/science/xcrysden/xcrysden-1.6.2/examples/PWSCF_files/lattices.d/
H A Dtest.sh49 $PWI $pwi > $pwi.xsf
50 $PWO -ic $pwo > $pwo.xsf
52 tkdiff $pwi.xsf $pwo.xsf
/dports/databases/xtrabackup8/percona-xtrabackup-8.0.14/storage/ndb/src/kernel/blocks/dbdict/
H A DprintSchemaFile.cpp149 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()
/dports/science/octopus/octopus-10.5/testsuite/linear_response/
H A D01-casida.test108 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 …]
/dports/science/xcrysden/xcrysden-1.6.2/Tcl/
H A Dxsf2Open.tcl114 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]
/dports/devel/plan9port/plan9port-1f098efb7370a0b28306d10681e21883fb1c1507/src/cmd/smugfs/
H A Dfs.c1253 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 …]
/dports/java/openjdk11/jdk11u-jdk-11.0.13-8-1/src/java.xml/share/classes/com/sun/org/apache/xml/internal/dtm/
H A DDTMManager.java78 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()
/dports/java/openjdk13/jdk13u-jdk-13.0.10-1-1/src/java.xml/share/classes/com/sun/org/apache/xml/internal/dtm/
H A DDTMManager.java78 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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