section_create (reference) in projects: dports

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Searched refs:section_create (Results 1 – 25 of 108) sorted by relevance

12 3 4 5

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	input_cp2k_embed.F	`23 section_create,& 55 CALL section_create(section, __LOCATION__, name="EMBED", & 90 CALL section_create(subsection, __LOCATION__, name="MAPPING", & 98 CALL section_create(sub2section, __LOCATION__, name="FORCE_EVAL_EMBED", & 102 CALL section_create(sub3section, __LOCATION__, name="FRAGMENT", & 124 CALL section_create(sub2section, __LOCATION__, name="FORCE_EVAL", & 145 CALL section_create(sub3section, __LOCATION__, name="FRAGMENT", & 195 CALL section_create(section, __LOCATION__, name="print", &`
H A D	input_cp2k_xc.F	35 section_create,& 194 CALL section_create(subsection, __LOCATION__, name="LYP", & 211 CALL section_create(subsection, __LOCATION__, name="PADE", & 223 CALL section_create(subsection, __LOCATION__, name="HCTH", & 242 CALL section_create(subsection, __LOCATION__, name="OPTX", & 287 CALL section_create(subsection, __LOCATION__, name="CS1", & 298 CALL section_create(subsection, __LOCATION__, name="XGGA", & 426 CALL section_create(subsection, __LOCATION__, name="TFW", & 437 CALL section_create(subsection, __LOCATION__, name="TF", & 448 CALL section_create(subsection, __LOCATION__, name="VWN", & [all …]
H A D	input_cp2k_free_energy.F	27 section_create,& 66 CALL section_create(section, __LOCATION__, name="free_energy", & 120 CALL section_create(section, __LOCATION__, name="metadyn", & 316 CALL section_create(subsection, __LOCATION__, name="print", & 658 CALL section_create(section, __LOCATION__, name="METAVAR", & 702 CALL section_create(wall_section, __LOCATION__, name="WALL", & 729 CALL section_create(subsection, __LOCATION__, name="REFLECTIVE", & 746 CALL section_create(subsection, __LOCATION__, name="QUADRATIC", & 771 CALL section_create(subsection, __LOCATION__, name="QUARTIC", & 796 CALL section_create(subsection, __LOCATION__, name="GAUSSIAN", & [all …]
H A D	input_cp2k_mixed.F	32 section_create,& 69 CALL section_create(section, __LOCATION__, name="MIXED", & 117 CALL section_create(subsection, __LOCATION__, name="LINEAR", & 130 CALL section_create(subsection, __LOCATION__, name="MIXED_CDFT", & 331 CALL section_create(subsection, __LOCATION__, name="COUPLING", & 342 CALL section_create(subsection, __LOCATION__, name="RESTRAINT", & 361 CALL section_create(subsection, __LOCATION__, name="GENERIC", & 419 CALL section_create(subsection, __LOCATION__, name="MAPPING", & 431 CALL section_create(sub3section, __LOCATION__, name="FRAGMENT", & 524 CALL section_create(section, __LOCATION__, name="print", & [all …]
H A D	input_cp2k_thermostats.F	32 section_create,& 235 CALL section_create(section, __LOCATION__, name="THERMOSTAT", & 320 CALL section_create(section, __LOCATION__, name="PRINT", & 427 CALL section_create(section, __LOCATION__, name="nose", & 495 CALL section_create(section, __LOCATION__, name="GLE", & 565 CALL section_create(section, __LOCATION__, name="s", & 593 CALL section_create(section, __LOCATION__, name="csvr", & 750 CALL section_create(section, __LOCATION__, name="force", & 779 CALL section_create(section, __LOCATION__, name="mass", & 808 CALL section_create(section, __LOCATION__, name="velocity", & [all …]
H A D	input_cp2k_subsys.F	42 section_create,& 82 CALL section_create(section, __LOCATION__, "CELL", & 87 CALL section_create(subsection, __LOCATION__, "CELL_REF", & 277 CALL section_create(section, __LOCATION__, name="subsys", & 366 CALL section_create(section, __LOCATION__, name="print", & 867 CALL section_create(section, __LOCATION__, name="BASIS", & 925 CALL section_create(section, __LOCATION__, name="coord", & 1064 CALL section_create(section, __LOCATION__, name="KIND", & 1456 CALL section_create(section, __LOCATION__, & 2274 CALL section_create(section, __LOCATION__, & [all …]
H A D	input_cp2k_neb.F	34 section_create,& 67 CALL section_create(section, __LOCATION__, name="band", & 160 CALL section_create(subsection, __LOCATION__, name="CONVERGENCE_CONTROL", & 195 CALL section_create(subsection, __LOCATION__, name="CI_NEB", & 208 CALL section_create(subsection, __LOCATION__, name="STRING_METHOD", & 227 CALL section_create(subsection, __LOCATION__, name="optimize_band", & 236 CALL section_create(subsection, __LOCATION__, name="replica", & 344 CALL section_create(subsection, __LOCATION__, name="MD", & 374 CALL section_create(subsubsection, __LOCATION__, name="TEMP_CONTROL", & 400 CALL section_create(subsubsection, __LOCATION__, name="VEL_CONTROL", & [all …]
H A D	input_cp2k_field.F	`26 section_create,& 58 CALL section_create(section, __LOCATION__, name="PERIODIC_EFIELD", & 116 CALL section_create(section, __LOCATION__, name="EFIELD", & 199 CALL section_create(section, __LOCATION__, name="CONSTANT_ENV", & 234 CALL section_create(section, __LOCATION__, name="GAUSSIAN_ENV", & 271 CALL section_create(section, __LOCATION__, name="RAMP_ENV", & 320 CALL section_create(section, __LOCATION__, name="CUSTOM_ENV", &`
H A D	input_cp2k_almo.F	32 section_create,& 70 CALL section_create(section, __LOCATION__, name="ALMO_SCF", & 637 CALL section_create(section, __LOCATION__, name="ALMO_OPTIMIZER_DIIS", & 642 CALL section_create(section, __LOCATION__, name="ALMO_OPTIMIZER_PCG", & 647 CALL section_create(section, __LOCATION__, name="XALMO_OPTIMIZER_PCG", & 656 CALL section_create(section, __LOCATION__, name="XALMO_NEWTON_PCG_SOLVER", & 793 CALL section_create(section, __LOCATION__, name="MATRIX_ITERATE", & 843 CALL section_create(section, __LOCATION__, name="PENALTY", & 889 CALL section_create(section, __LOCATION__, name="ANALYSIS", & 946 CALL section_create(section, __LOCATION__, name="PRINT", &
H A D	input_cp2k_properties_dft.F	48 section_create,& 84 CALL section_create(section, __LOCATION__, name="PROPERTIES", & 147 CALL section_create(section, __LOCATION__, name="linres", & 250 CALL section_create(subsection, __LOCATION__, name="PRINT", & 296 CALL section_create(section, __LOCATION__, name="current", & 406 CALL section_create(subsection, __LOCATION__, name="PRINT", & 495 CALL section_create(section, __LOCATION__, name="nmr", & 547 CALL section_create(subsection, __LOCATION__, name="PRINT", & 747 CALL section_create(section, __LOCATION__, name="EPR", & 880 CALL section_create(section, __LOCATION__, name="POLAR", & [all …]
H A D	input_cp2k_colvar.F	31 section_create,& 73 CALL section_create(section, __LOCATION__, name="COLVAR", & 81 CALL section_create(subsection, __LOCATION__, name="PRINT", & 791 CALL section_create(section, __LOCATION__, name="angle", & 997 CALL section_create(section, __LOCATION__, name="u", & 1192 CALL section_create(section, __LOCATION__, name="POINT", & 1250 CALL section_create(section, __LOCATION__, name="qparm", & 1879 CALL section_create(section, __LOCATION__, name="rmsd", & 2224 CALL section_create(section, __LOCATION__, name="coord", & 2252 CALL section_create(section, __LOCATION__, name="wc", & [all …]
H A D	input_cp2k_qmmm.F	54 section_create,& 98 CALL section_create(section, __LOCATION__, name="qmmm", & 290 CALL section_create(section, __LOCATION__, name="MM_KIND", & 490 CALL section_create( & 529 CALL section_create(subsection, __LOCATION__, name="print", & 567 CALL section_create(section, __LOCATION__, name="QM_KIND", & 601 CALL section_create(section, __LOCATION__, name="WALLS", & 749 CALL section_create(section, __LOCATION__, name="PERIODIC", & 813 CALL section_create(section, __LOCATION__, name="MULTIPOLE", & 968 CALL section_create(section, __LOCATION__, name="LINK", & [all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	input_cp2k_embed.F	`23 section_create,& 55 CALL section_create(section, __LOCATION__, name="EMBED", & 90 CALL section_create(subsection, __LOCATION__, name="MAPPING", & 98 CALL section_create(sub2section, __LOCATION__, name="FORCE_EVAL_EMBED", & 102 CALL section_create(sub3section, __LOCATION__, name="FRAGMENT", & 124 CALL section_create(sub2section, __LOCATION__, name="FORCE_EVAL", & 145 CALL section_create(sub3section, __LOCATION__, name="FRAGMENT", & 195 CALL section_create(section, __LOCATION__, name="print", &`
H A D	input_cp2k_xc.F	35 section_create,& 194 CALL section_create(subsection, __LOCATION__, name="LYP", & 211 CALL section_create(subsection, __LOCATION__, name="PADE", & 223 CALL section_create(subsection, __LOCATION__, name="HCTH", & 242 CALL section_create(subsection, __LOCATION__, name="OPTX", & 287 CALL section_create(subsection, __LOCATION__, name="CS1", & 298 CALL section_create(subsection, __LOCATION__, name="XGGA", & 426 CALL section_create(subsection, __LOCATION__, name="TFW", & 437 CALL section_create(subsection, __LOCATION__, name="TF", & 448 CALL section_create(subsection, __LOCATION__, name="VWN", & [all …]
H A D	input_cp2k_free_energy.F	27 section_create,& 66 CALL section_create(section, __LOCATION__, name="free_energy", & 120 CALL section_create(section, __LOCATION__, name="metadyn", & 316 CALL section_create(subsection, __LOCATION__, name="print", & 658 CALL section_create(section, __LOCATION__, name="METAVAR", & 702 CALL section_create(wall_section, __LOCATION__, name="WALL", & 729 CALL section_create(subsection, __LOCATION__, name="REFLECTIVE", & 746 CALL section_create(subsection, __LOCATION__, name="QUADRATIC", & 771 CALL section_create(subsection, __LOCATION__, name="QUARTIC", & 796 CALL section_create(subsection, __LOCATION__, name="GAUSSIAN", & [all …]
H A D	input_cp2k_mixed.F	32 section_create,& 69 CALL section_create(section, __LOCATION__, name="MIXED", & 117 CALL section_create(subsection, __LOCATION__, name="LINEAR", & 130 CALL section_create(subsection, __LOCATION__, name="MIXED_CDFT", & 331 CALL section_create(subsection, __LOCATION__, name="COUPLING", & 342 CALL section_create(subsection, __LOCATION__, name="RESTRAINT", & 361 CALL section_create(subsection, __LOCATION__, name="GENERIC", & 419 CALL section_create(subsection, __LOCATION__, name="MAPPING", & 431 CALL section_create(sub3section, __LOCATION__, name="FRAGMENT", & 524 CALL section_create(section, __LOCATION__, name="print", & [all …]
H A D	input_cp2k_thermostats.F	32 section_create,& 235 CALL section_create(section, __LOCATION__, name="THERMOSTAT", & 320 CALL section_create(section, __LOCATION__, name="PRINT", & 427 CALL section_create(section, __LOCATION__, name="nose", & 495 CALL section_create(section, __LOCATION__, name="GLE", & 565 CALL section_create(section, __LOCATION__, name="s", & 593 CALL section_create(section, __LOCATION__, name="csvr", & 750 CALL section_create(section, __LOCATION__, name="force", & 779 CALL section_create(section, __LOCATION__, name="mass", & 808 CALL section_create(section, __LOCATION__, name="velocity", & [all …]
H A D	input_cp2k_subsys.F	42 section_create,& 82 CALL section_create(section, __LOCATION__, "CELL", & 87 CALL section_create(subsection, __LOCATION__, "CELL_REF", & 277 CALL section_create(section, __LOCATION__, name="subsys", & 366 CALL section_create(section, __LOCATION__, name="print", & 867 CALL section_create(section, __LOCATION__, name="BASIS", & 925 CALL section_create(section, __LOCATION__, name="coord", & 1064 CALL section_create(section, __LOCATION__, name="KIND", & 1468 CALL section_create(section, __LOCATION__, & 2286 CALL section_create(section, __LOCATION__, & [all …]
H A D	input_cp2k_neb.F	34 section_create,& 67 CALL section_create(section, __LOCATION__, name="band", & 160 CALL section_create(subsection, __LOCATION__, name="CONVERGENCE_CONTROL", & 195 CALL section_create(subsection, __LOCATION__, name="CI_NEB", & 208 CALL section_create(subsection, __LOCATION__, name="STRING_METHOD", & 227 CALL section_create(subsection, __LOCATION__, name="optimize_band", & 236 CALL section_create(subsection, __LOCATION__, name="replica", & 344 CALL section_create(subsection, __LOCATION__, name="MD", & 374 CALL section_create(subsubsection, __LOCATION__, name="TEMP_CONTROL", & 400 CALL section_create(subsubsection, __LOCATION__, name="VEL_CONTROL", & [all …]
H A D	input_cp2k_field.F	`26 section_create,& 58 CALL section_create(section, __LOCATION__, name="PERIODIC_EFIELD", & 116 CALL section_create(section, __LOCATION__, name="EFIELD", & 199 CALL section_create(section, __LOCATION__, name="CONSTANT_ENV", & 234 CALL section_create(section, __LOCATION__, name="GAUSSIAN_ENV", & 271 CALL section_create(section, __LOCATION__, name="RAMP_ENV", & 320 CALL section_create(section, __LOCATION__, name="CUSTOM_ENV", &`
H A D	input_cp2k_colvar.F	31 section_create,& 73 CALL section_create(section, __LOCATION__, name="COLVAR", & 81 CALL section_create(subsection, __LOCATION__, name="PRINT", & 791 CALL section_create(section, __LOCATION__, name="angle", & 997 CALL section_create(section, __LOCATION__, name="u", & 1192 CALL section_create(section, __LOCATION__, name="POINT", & 1250 CALL section_create(section, __LOCATION__, name="qparm", & 1879 CALL section_create(section, __LOCATION__, name="rmsd", & 2224 CALL section_create(section, __LOCATION__, name="coord", & 2252 CALL section_create(section, __LOCATION__, name="wc", & [all …]
H A D	input_cp2k_almo.F	32 section_create,& 72 CALL section_create(section, __LOCATION__, name="ALMO_SCF", & 587 CALL section_create(section, __LOCATION__, name="ALMO_OPTIMIZER_DIIS", & 592 CALL section_create(section, __LOCATION__, name="ALMO_OPTIMIZER_PCG", & 597 CALL section_create(section, __LOCATION__, name="NLMO_OPTIMIZER_PCG", & 606 CALL section_create(section, __LOCATION__, name="XALMO_OPTIMIZER_PCG", & 615 CALL section_create(section, __LOCATION__, name="XALMO_OPTIMIZER_TRUSTR", & 815 CALL section_create(section, __LOCATION__, name="MATRIX_ITERATE", & 865 CALL section_create(section, __LOCATION__, name="PENALTY", & 940 CALL section_create(section, __LOCATION__, name="ANALYSIS", & [all …]
H A D	input_cp2k_mp2.F	39 section_create,& 170 CALL section_create(section, __LOCATION__, name="MP2", & 230 CALL section_create(section, __LOCATION__, name="RI_MP2", & 429 CALL section_create(section, __LOCATION__, name="RI_RPA", & 581 CALL section_create(section, __LOCATION__, name="GW", & 842 CALL section_create(section, __LOCATION__, name="PRINT", & 983 CALL section_create(section, __LOCATION__, name="BSE", & 1030 CALL section_create(section, __LOCATION__, name="IC", & 1070 CALL section_create( & 1297 CALL section_create( & [all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/
H A D	input_cp2k_motion.F	56 section_create,& 90 CALL section_create(section, __LOCATION__, name="motion", & 168 CALL section_create(section, __LOCATION__, name="mc", & 393 CALL section_create(section, __LOCATION__, name="avbmc", & 1233 CALL section_create(section, __LOCATION__, name="BFGS", & 1301 CALL section_create(section, __LOCATION__, name="CG", & 1433 CALL section_create(section, __LOCATION__, name="LBFGS", & 1595 CALL section_create(section, __LOCATION__, name="DRIVER", & 1646 CALL section_create(section, __LOCATION__, name="PINT", & 1886 CALL section_create(subsection, __LOCATION__, name="QTB", & [all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/start/
H A D	input_cp2k_motion.F	56 section_create,& 90 CALL section_create(section, __LOCATION__, name="motion", & 168 CALL section_create(section, __LOCATION__, name="mc", & 393 CALL section_create(section, __LOCATION__, name="avbmc", & 1233 CALL section_create(section, __LOCATION__, name="BFGS", & 1301 CALL section_create(section, __LOCATION__, name="CG", & 1433 CALL section_create(section, __LOCATION__, name="LBFGS", & 1595 CALL section_create(section, __LOCATION__, name="DRIVER", & 1646 CALL section_create(section, __LOCATION__, name="PINT", & 1886 CALL section_create(subsection, __LOCATION__, name="QTB", & [all …]

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