/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | input_cp2k_force_eval.F | 124 CALL section_add_subsection(section, subsection) 128 CALL section_add_subsection(section, subsection) 132 CALL section_add_subsection(section, subsection) 136 CALL section_add_subsection(section, subsection) 140 CALL section_add_subsection(section, subsection) 144 CALL section_add_subsection(section, subsection) 148 CALL section_add_subsection(section, subsection) 152 CALL section_add_subsection(section, subsection) 156 CALL section_add_subsection(section, subsection) 160 CALL section_add_subsection(section, subsection) [all …]
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H A D | input_cp2k_motion_print.F | 71 CALL section_add_subsection(section, print_key) 81 CALL section_add_subsection(section, print_key) 90 CALL section_add_subsection(section, print_key) 99 CALL section_add_subsection(section, print_key) 113 CALL section_add_subsection(section, print_key) 122 CALL section_add_subsection(section, print_key) 131 CALL section_add_subsection(section, print_key) 135 CALL section_add_subsection(section, print_key) 145 CALL section_add_subsection(section, print_key) 154 CALL section_add_subsection(section, print_key) [all …]
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H A D | input_cp2k_qmmm.F | 230 CALL section_add_subsection(section, subsection) 234 CALL section_add_subsection(section, subsection) 238 CALL section_add_subsection(section, subsection) 242 CALL section_add_subsection(section, subsection) 246 CALL section_add_subsection(section, subsection) 250 CALL section_add_subsection(section, subsection) 254 CALL section_add_subsection(section, subsection) 258 CALL section_add_subsection(section, subsection) 262 CALL section_add_subsection(section, subsection) 266 CALL section_add_subsection(section, subsection) [all …]
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H A D | input_cp2k_properties_dft.F | 94 CALL section_add_subsection(section, subsection) 98 CALL section_add_subsection(section, subsection) 102 CALL section_add_subsection(section, subsection) 106 CALL section_add_subsection(section, subsection) 122 CALL section_add_subsection(section, subsection) 126 CALL section_add_subsection(section, subsection) 230 CALL section_add_subsection(section, subsection) 234 CALL section_add_subsection(section, subsection) 238 CALL section_add_subsection(section, subsection) 242 CALL section_add_subsection(section, subsection) [all …]
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H A D | input_cp2k_eip.F | 22 section_add_subsection,& 80 CALL section_add_subsection(section, subsection) 112 CALL section_add_subsection(section, print_key) 118 CALL section_add_subsection(section, print_key) 124 CALL section_add_subsection(section, print_key) 130 CALL section_add_subsection(section, print_key) 136 CALL section_add_subsection(section, print_key) 142 CALL section_add_subsection(section, print_key)
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H A D | input_cp2k_thermostats.F | 125 CALL section_add_subsection(section, nose_section) 295 CALL section_add_subsection(section, al_section) 300 CALL section_add_subsection(section, subsection) 328 CALL section_add_subsection(section, print_key) 336 CALL section_add_subsection(section, print_key) 343 CALL section_add_subsection(section, print_key) 462 CALL section_add_subsection(section, subsection) 466 CALL section_add_subsection(section, subsection) 470 CALL section_add_subsection(section, subsection) 474 CALL section_add_subsection(section, subsection) [all …]
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H A D | input_cp2k_neb.F | 190 CALL section_add_subsection(section, subsection) 204 CALL section_add_subsection(section, subsection) 223 CALL section_add_subsection(section, subsection) 231 CALL section_add_subsection(section, subsection) 263 CALL section_add_subsection(section, subsection) 278 CALL section_add_subsection(section, print_key) 284 CALL section_add_subsection(section, print_key) 290 CALL section_add_subsection(section, print_key) 297 CALL section_add_subsection(section, print_key) 304 CALL section_add_subsection(section, print_key) [all …]
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H A D | input_cp2k_free_energy.F | 84 CALL section_add_subsection(section, subsection) 88 CALL section_add_subsection(section, subsection) 92 CALL section_add_subsection(section, subsection) 100 CALL section_add_subsection(section, print_key) 309 CALL section_add_subsection(section, subsection) 313 CALL section_add_subsection(section, subsection) 326 CALL section_add_subsection(subsection, print_key) 364 CALL section_add_subsection(section, subsection) 432 CALL section_add_subsection(section, subsection) 507 CALL section_add_subsection(section, subsection) [all …]
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H A D | input_cp2k_xc.F | 122 CALL section_add_subsection(section, subsection) 140 CALL section_add_subsection(section, subsection) 168 CALL section_add_subsection(section, subsection) 191 CALL section_add_subsection(section, subsection) 208 CALL section_add_subsection(section, subsection) 220 CALL section_add_subsection(section, subsection) 239 CALL section_add_subsection(section, subsection) 270 CALL section_add_subsection(section, subsection) 277 CALL section_add_subsection(section, subsection) 284 CALL section_add_subsection(section, subsection) [all …]
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H A D | input_cp2k_subsys.F | 92 CALL section_add_subsection(section, subsection) 297 CALL section_add_subsection(section, subsection) 301 CALL section_add_subsection(section, subsection) 375 CALL section_add_subsection(section, print_key) 379 CALL section_add_subsection(section, print_key) 386 CALL section_add_subsection(section, print_key) 447 CALL section_add_subsection(section, print_key) 454 CALL section_add_subsection(section, print_key) 477 CALL section_add_subsection(section, print_key) 524 CALL section_add_subsection(section, print_key) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | input_cp2k_force_eval.F | 124 CALL section_add_subsection(section, subsection) 128 CALL section_add_subsection(section, subsection) 132 CALL section_add_subsection(section, subsection) 136 CALL section_add_subsection(section, subsection) 140 CALL section_add_subsection(section, subsection) 144 CALL section_add_subsection(section, subsection) 148 CALL section_add_subsection(section, subsection) 152 CALL section_add_subsection(section, subsection) 156 CALL section_add_subsection(section, subsection) 160 CALL section_add_subsection(section, subsection) [all …]
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H A D | input_cp2k_motion_print.F | 71 CALL section_add_subsection(section, print_key) 81 CALL section_add_subsection(section, print_key) 90 CALL section_add_subsection(section, print_key) 99 CALL section_add_subsection(section, print_key) 113 CALL section_add_subsection(section, print_key) 122 CALL section_add_subsection(section, print_key) 131 CALL section_add_subsection(section, print_key) 135 CALL section_add_subsection(section, print_key) 145 CALL section_add_subsection(section, print_key) 154 CALL section_add_subsection(section, print_key) [all …]
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H A D | input_cp2k_qmmm.F | 230 CALL section_add_subsection(section, subsection) 234 CALL section_add_subsection(section, subsection) 238 CALL section_add_subsection(section, subsection) 242 CALL section_add_subsection(section, subsection) 246 CALL section_add_subsection(section, subsection) 250 CALL section_add_subsection(section, subsection) 254 CALL section_add_subsection(section, subsection) 258 CALL section_add_subsection(section, subsection) 262 CALL section_add_subsection(section, subsection) 266 CALL section_add_subsection(section, subsection) [all …]
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H A D | input_cp2k_properties_dft.F | 91 CALL section_add_subsection(section, subsection) 95 CALL section_add_subsection(section, subsection) 99 CALL section_add_subsection(section, subsection) 103 CALL section_add_subsection(section, subsection) 119 CALL section_add_subsection(section, subsection) 123 CALL section_add_subsection(section, subsection) 227 CALL section_add_subsection(section, subsection) 231 CALL section_add_subsection(section, subsection) 235 CALL section_add_subsection(section, subsection) 239 CALL section_add_subsection(section, subsection) [all …]
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H A D | input_cp2k_eip.F | 22 section_add_subsection,& 80 CALL section_add_subsection(section, subsection) 112 CALL section_add_subsection(section, print_key) 118 CALL section_add_subsection(section, print_key) 124 CALL section_add_subsection(section, print_key) 130 CALL section_add_subsection(section, print_key) 136 CALL section_add_subsection(section, print_key) 142 CALL section_add_subsection(section, print_key)
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H A D | input_cp2k_thermostats.F | 125 CALL section_add_subsection(section, nose_section) 295 CALL section_add_subsection(section, al_section) 300 CALL section_add_subsection(section, subsection) 328 CALL section_add_subsection(section, print_key) 336 CALL section_add_subsection(section, print_key) 343 CALL section_add_subsection(section, print_key) 462 CALL section_add_subsection(section, subsection) 466 CALL section_add_subsection(section, subsection) 470 CALL section_add_subsection(section, subsection) 474 CALL section_add_subsection(section, subsection) [all …]
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H A D | input_cp2k_neb.F | 190 CALL section_add_subsection(section, subsection) 204 CALL section_add_subsection(section, subsection) 223 CALL section_add_subsection(section, subsection) 231 CALL section_add_subsection(section, subsection) 263 CALL section_add_subsection(section, subsection) 278 CALL section_add_subsection(section, print_key) 284 CALL section_add_subsection(section, print_key) 290 CALL section_add_subsection(section, print_key) 297 CALL section_add_subsection(section, print_key) 304 CALL section_add_subsection(section, print_key) [all …]
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H A D | input_cp2k_free_energy.F | 84 CALL section_add_subsection(section, subsection) 88 CALL section_add_subsection(section, subsection) 92 CALL section_add_subsection(section, subsection) 100 CALL section_add_subsection(section, print_key) 309 CALL section_add_subsection(section, subsection) 313 CALL section_add_subsection(section, subsection) 326 CALL section_add_subsection(subsection, print_key) 364 CALL section_add_subsection(section, subsection) 432 CALL section_add_subsection(section, subsection) 507 CALL section_add_subsection(section, subsection) [all …]
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H A D | input_cp2k_xc.F | 122 CALL section_add_subsection(section, subsection) 140 CALL section_add_subsection(section, subsection) 168 CALL section_add_subsection(section, subsection) 191 CALL section_add_subsection(section, subsection) 208 CALL section_add_subsection(section, subsection) 220 CALL section_add_subsection(section, subsection) 239 CALL section_add_subsection(section, subsection) 270 CALL section_add_subsection(section, subsection) 277 CALL section_add_subsection(section, subsection) 284 CALL section_add_subsection(section, subsection) [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/ |
H A D | input_cp2k_motion.F | 100 CALL section_add_subsection(section, subsection) 104 CALL section_add_subsection(section, subsection) 108 CALL section_add_subsection(section, subsection) 112 CALL section_add_subsection(section, subsection) 116 CALL section_add_subsection(section, subsection) 120 CALL section_add_subsection(section, subsection) 124 CALL section_add_subsection(section, subsection) 128 CALL section_add_subsection(section, subsection) 132 CALL section_add_subsection(section, subsection) 136 CALL section_add_subsection(section, subsection) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/start/ |
H A D | input_cp2k_motion.F | 100 CALL section_add_subsection(section, subsection) 104 CALL section_add_subsection(section, subsection) 108 CALL section_add_subsection(section, subsection) 112 CALL section_add_subsection(section, subsection) 116 CALL section_add_subsection(section, subsection) 120 CALL section_add_subsection(section, subsection) 124 CALL section_add_subsection(section, subsection) 128 CALL section_add_subsection(section, subsection) 132 CALL section_add_subsection(section, subsection) 136 CALL section_add_subsection(section, subsection) [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
H A D | input_cp2k_md.F | 261 CALL section_add_subsection(section, subsection) 265 CALL section_add_subsection(section, subsection) 269 CALL section_add_subsection(section, subsection) 403 CALL section_add_subsection(section, print_key) 410 CALL section_add_subsection(section, print_key) 418 CALL section_add_subsection(section, print_key) 426 CALL section_add_subsection(section, print_key) 433 CALL section_add_subsection(section, print_key) 440 CALL section_add_subsection(section, print_key) 453 CALL section_add_subsection(section, print_key) [all …]
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H A D | input_cp2k_vib.F | 136 CALL section_add_subsection(section, subsection) 140 CALL section_add_subsection(section, subsection) 168 CALL section_add_subsection(section, print_key) 174 CALL section_add_subsection(section, print_key) 180 CALL section_add_subsection(section, print_key) 193 CALL section_add_subsection(section, print_key) 212 CALL section_add_subsection(section, print_key) 219 CALL section_add_subsection(section, print_key) 316 CALL section_add_subsection(section, subsection) 327 CALL section_add_subsection(subsection, print_key) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
H A D | input_cp2k_md.F | 261 CALL section_add_subsection(section, subsection) 265 CALL section_add_subsection(section, subsection) 269 CALL section_add_subsection(section, subsection) 403 CALL section_add_subsection(section, print_key) 410 CALL section_add_subsection(section, print_key) 418 CALL section_add_subsection(section, print_key) 426 CALL section_add_subsection(section, print_key) 433 CALL section_add_subsection(section, print_key) 440 CALL section_add_subsection(section, print_key) 453 CALL section_add_subsection(section, print_key) [all …]
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H A D | input_cp2k_vib.F | 136 CALL section_add_subsection(section, subsection) 140 CALL section_add_subsection(section, subsection) 168 CALL section_add_subsection(section, print_key) 174 CALL section_add_subsection(section, print_key) 180 CALL section_add_subsection(section, print_key) 193 CALL section_add_subsection(section, print_key) 212 CALL section_add_subsection(section, print_key) 219 CALL section_add_subsection(section, print_key) 316 CALL section_add_subsection(section, subsection) 327 CALL section_add_subsection(subsection, print_key) [all …]
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