RESTART_FILE_NAME |
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| Specifies the name of restart file (or any other input file) to be read. Only fields relevant to a restart will be used (unless switched off with the keywords in this section)
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| This optional keyword expects a string. Default value:
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| variants: EXTERNAL_FILE |
RESTART_DEFAULT |
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| This keyword controls the default value for all possible restartable keywords, unless explicitly defined. For example setting this keyword to .FALSE. does not restart any quantity. If, at the same time, one keyword is set to .TRUE. only that quantity will be restarted.
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| This optional keyword expects a logical. Default value: T
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RESTART_COUNTERS |
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| Restarts the counters in MD schemes
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_POS |
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| Takes the positions from the external file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_VEL |
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| Takes the velocities from the external file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_RANDOMG |
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| Restarts the random number generator from the external file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_KG_COEFF_POS |
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| Restarts the positions of coefficents of kg from the external file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_KG_COEFF_VEL |
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| Restarts the velocity of coefficents of kg from the external file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_SHELL_POS |
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| Takes the positions of the shells from the external file (only if shel-model)
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_CORE_POS |
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| Takes the positions of the cores from the external file (only if shel-model)
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_SHELL_VELOCITY |
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| Takes the velocities of the shells from the external file (only if shel-model)
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_CORE_VELOCITY |
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| Takes the velocities of the shells from the external file (only if shel-model)
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_KG_THERMOSTAT |
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| Restarts the nose thermostats of the kg coefficents from the EXTERNAL file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_BAROSTAT |
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| Restarts the barostat from the external file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_BAROSTAT_THERMOSTAT |
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| Restarts the barostat thermostat from the external file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_SHELL_THERMOSTAT |
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| Restarts the shell thermostat from the external file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_THERMOSTAT |
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| Restarts the nose thermostats of the particles from the EXTERNAL file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_CELL |
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| Restarts the cell (and cell_ref) from the EXTERNAL file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_METADYNAMICS |
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| Restarts hills from a previous metadynamics run from the EXTERNAL file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_WALKERS |
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| Restarts walkers informations from a previous metadynamics run from the EXTERNAL file
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_BAND |
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| Restarts positions and velocities of the Band.
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_QMMM |
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| Restarts the following specific QMMM info: translation vectors.
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_CONSTRAINT |
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| Restarts constraint section. It's necessary when doing restraint calculation to have a perfect energy conservation. For constraints only it's use is optional.
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_BSSE |
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| Restarts information for BSSE calculations.
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_DIMER |
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| Restarts information for DIMER geometry optimizations.
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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RESTART_AVERAGES |
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| Restarts information for AVERAGES.
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| This optional keyword expects a logical |
| This keyword behaves as a switch T
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CUSTOM_PATH |
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| Restarts the given path from the EXTERNAL file. Allows a major flexibility for restarts.
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| This optional keyword expects a word, and may repeat |