Searched refs:xyz_filename (Results 1 – 17 of 17) sorted by relevance
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
H A D | cpmd_input.F | 91 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))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/ |
H A D | cpmd_input.F | 91 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))
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/control/ |
H A D | control.fh | 12 character*50 xyz_filename,cell_name 67 > xyz_filename,cell_name,
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H A D | control.F | 326 > 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
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/control/ |
H A D | control.fh | 12 character*50 xyz_filename,cell_name 63 > xyz_filename,cell_name,
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H A D | control.F | 326 > 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
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/dports/databases/spatialite-tools/spatialite-tools-5.0.1/ |
H A D | spatialite_dem.c | 1867 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/pspw_md/ |
H A D | pspw_md.nw | 181 xyz_filename: sic2.energy.xyz 211 xyz_filename: sic2.hoover.xyz
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H A D | pspw_md.out.pre66 | 184 xyz_filename: sic2.energy.xyz 214 xyz_filename: sic2.hoover.xyz
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H A D | pspw_md.out | 186 xyz_filename: sic2.energy.xyz 216 xyz_filename: sic2.hoover.xyz
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H A D | pspw_md.out.pre63 | 183 xyz_filename: sic2.energy.xyz 213 xyz_filename: sic2.hoover.xyz
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/pspw_md/ |
H A D | pspw_md.nw | 181 xyz_filename: sic2.energy.xyz 211 xyz_filename: sic2.hoover.xyz
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H A D | pspw_md.out.pre66 | 184 xyz_filename: sic2.energy.xyz 214 xyz_filename: sic2.hoover.xyz
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H A D | pspw_md.out | 186 xyz_filename: sic2.energy.xyz 216 xyz_filename: sic2.hoover.xyz
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H A D | pspw_md.out.pre63 | 183 xyz_filename: sic2.energy.xyz 213 xyz_filename: sic2.hoover.xyz
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/doc/user/ |
H A D | pspw.tex | 613 XYZ_FILENAME <string xyz_filename default XYZ> 2612 xyz_filename ccl4.00.xyz
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/dports/science/nwchem-data/nwchem-7.0.2-release/doc/user/ |
H A D | pspw.tex | 613 XYZ_FILENAME <string xyz_filename default XYZ> 2612 xyz_filename ccl4.00.xyz
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