Home
last modified time | relevance | path

Searched refs:xyz_filename (Results 1 – 17 of 17) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/
H A Dcpmd_input.F91 character*50 xyz_filename
354 1600 if (.not. inp_a(xyz_filename))
357 ind = index(xyz_filename,' ') - 1
359 > 1,xyz_filename(1:ind))
702 character*50 xyz_filename
752 call util_file_prefix('xyz',xyz_filename)
794 ind = index(xyz_filename,' ') - 1
797 > 1,xyz_filename(1:ind))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/
H A Dcpmd_input.F91 character*50 xyz_filename
354 1600 if (.not. inp_a(xyz_filename))
357 ind = index(xyz_filename,' ') - 1
359 > 1,xyz_filename(1:ind))
702 character*50 xyz_filename
752 call util_file_prefix('xyz',xyz_filename)
794 ind = index(xyz_filename,' ') - 1
797 > 1,xyz_filename(1:ind))
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/control/
H A Dcontrol.fh12 character*50 xyz_filename,cell_name
67 > xyz_filename,cell_name,
H A Dcontrol.F326 > 1,xyz_filename))
327 > call util_file_prefix('xyz',xyz_filename)
512 > 1,xyz_filename))
513 > call util_file_prefix('xyz',xyz_filename)
910 > 1,xyz_filename))
911 > call util_file_prefix('xyz',xyz_filename)
2983 control_xyz = xyz_filename
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/control/
H A Dcontrol.fh12 character*50 xyz_filename,cell_name
63 > xyz_filename,cell_name,
H A Dcontrol.F326 > 1,xyz_filename))
327 > call util_file_prefix('xyz',xyz_filename)
501 > 1,xyz_filename))
502 > call util_file_prefix('xyz',xyz_filename)
884 > 1,xyz_filename))
885 > call util_file_prefix('xyz',xyz_filename)
2928 control_xyz = xyz_filename
/dports/databases/spatialite-tools/spatialite-tools-5.0.1/
H A Dspatialite_dem.c1867 FILE *xyz_file = fopen(xyz_filename, "rt"); in collect_xyz_files()
1872 fprintf(stderr,"-I-> collect_xyz_files:reading xyz_filename[%s] \n", xyz_filename); in collect_xyz_files()
1924 const char *slash = strrchr(xyz_filename,'/'); in collect_xyz_files()
1925 directory_from_filename=malloc(sizeof(char)*((slash-xyz_filename)+1)); in collect_xyz_files()
1926 strncpy(directory_from_filename,xyz_filename,slash-xyz_filename); in collect_xyz_files()
1927 directory_from_filename[(slash-xyz_filename)]=0; in collect_xyz_files()
1942 "VALUES(%2.7f,%2.7f,'%s') ",point_x,point_y,xyz_filename); in collect_xyz_files()
1994 if (_chdir (xyz_filename) < 0) in collect_xyz_files()
2004 sql_statement = sqlite3_mprintf("%s/%s", xyz_filename,c_file.name); in collect_xyz_files()
2016 DIR *xyz_dir = opendir(xyz_filename); in collect_xyz_files()
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/pspw_md/
H A Dpspw_md.nw181 xyz_filename: sic2.energy.xyz
211 xyz_filename: sic2.hoover.xyz
H A Dpspw_md.out.pre66184 xyz_filename: sic2.energy.xyz
214 xyz_filename: sic2.hoover.xyz
H A Dpspw_md.out186 xyz_filename: sic2.energy.xyz
216 xyz_filename: sic2.hoover.xyz
H A Dpspw_md.out.pre63183 xyz_filename: sic2.energy.xyz
213 xyz_filename: sic2.hoover.xyz
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/pspw_md/
H A Dpspw_md.nw181 xyz_filename: sic2.energy.xyz
211 xyz_filename: sic2.hoover.xyz
H A Dpspw_md.out.pre66184 xyz_filename: sic2.energy.xyz
214 xyz_filename: sic2.hoover.xyz
H A Dpspw_md.out186 xyz_filename: sic2.energy.xyz
216 xyz_filename: sic2.hoover.xyz
H A Dpspw_md.out.pre63183 xyz_filename: sic2.energy.xyz
213 xyz_filename: sic2.hoover.xyz
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/doc/user/
H A Dpspw.tex613 XYZ_FILENAME <string xyz_filename default XYZ>
2612 xyz_filename ccl4.00.xyz
/dports/science/nwchem-data/nwchem-7.0.2-release/doc/user/
H A Dpspw.tex613 XYZ_FILENAME <string xyz_filename default XYZ>
2612 xyz_filename ccl4.00.xyz