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enum | PropagationMode::PropagationMode : int {
PropagationMode::NONE = 0
, PropagationMode::SYSTEM_DEFAULT = 1 << 0
, PropagationMode::TRANS_NEWTON = 1 << 1
, PropagationMode::TRANS_LANGEVIN = 1 << 2
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PropagationMode::TRANS_LANGEVIN_NPT = 1 << 3
, PropagationMode::TRANS_VS_RELATIVE = 1 << 4
, PropagationMode::TRANS_LB_MOMENTUM_EXCHANGE = 1 << 5
, PropagationMode::TRANS_LB_TRACER = 1 << 6
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PropagationMode::TRANS_BROWNIAN = 1 << 7
, PropagationMode::TRANS_STOKESIAN = 1 << 8
, PropagationMode::ROT_EULER = 1 << 10
, PropagationMode::ROT_LANGEVIN = 1 << 11
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PropagationMode::ROT_VS_RELATIVE = 1 << 12
, PropagationMode::ROT_BROWNIAN = 1 << 13
, PropagationMode::ROT_STOKESIAN = 1 << 14
} |
| Flags to create bitmasks for propagation modes. More...
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enum | IntegratorSwitch : int {
INTEG_METHOD_NPT_ISO = 0
, INTEG_METHOD_NVT = 1
, INTEG_METHOD_STEEPEST_DESCENT = 2
, INTEG_METHOD_BD = 3
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INTEG_METHOD_SD = 4
} |
| Integrator identifier. More...
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enum | ThermostatFlags : int {
THERMO_OFF = 0
, THERMO_LANGEVIN = 1 << 0
, THERMO_BROWNIAN = 1 << 1
, THERMO_NPT_ISO = 1 << 2
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THERMO_LB = 1 << 3
, THERMO_SD = 1 << 4
, THERMO_DPD = 1 << 5
, THERMO_BOND = 1 << 6
} |
| Thermostat flags. More...
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◆ IntegratorSwitch
Integrator identifier.
Enumerator |
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INTEG_METHOD_NPT_ISO | |
INTEG_METHOD_NVT | |
INTEG_METHOD_STEEPEST_DESCENT | |
INTEG_METHOD_BD | |
INTEG_METHOD_SD | |
Definition at line 44 of file PropagationMode.hpp.
◆ ThermostatFlags
Thermostat flags.
Enumerator |
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THERMO_OFF | |
THERMO_LANGEVIN | |
THERMO_BROWNIAN | |
THERMO_NPT_ISO | |
THERMO_LB | |
THERMO_SD | |
THERMO_DPD | |
THERMO_BOND | |
Definition at line 53 of file PropagationMode.hpp.