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ATC version 2.0, date: Aug21

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10638 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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rjones
2013-08-21 23:06:07 +00:00
parent 0f69054d68
commit d77ab2f96a
161 changed files with 3811 additions and 2548 deletions
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13
lib/atc/ThermalTimeIntegrator.cpp
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@ -34,26 +34,23 @@ namespace ATC {
int argIndex = 0;
// time integration scheme
/*! \page man_time_integration fix_modify AtC time_integration
/*! \page man_thermal_time_integration fix_modify AtC time_integration (thermal)
\section syntax
fix_modify AtC time_integration <descriptor> \n
- descriptor (string) = time integration type \n
various time integration methods for the finite elements\n
\section description
GEAR - atomic velocity update with 2nd order Verlet \n
nodal temperature update with 3rd or 4th order Gear \n
thermostats based on controlling power \n
FRACTIONAL_STEP - atomic velocity update with 2nd order Verlet \n
mixed nodal temperature update, 3/4 Gear for continuum and 2 Verlet for atomic contributions\n
thermostats based on controlling discrete energy changes\n
gear - atomic velocity update with 2nd order Verlet, nodal temperature update with 3rd or 4th order Gear, thermostats based on controlling power \n
fractional_step - atomic velocity update with 2nd order Verlet, mixed nodal temperature update, 3/4 Gear for continuum and 2 Verlet for atomic contributions, thermostats based on controlling discrete energy changes\n
\section examples
<TT> fix_modify atc time_integration gear </TT> \n
<TT> fix_modify atc time_integration fractional_step </TT> \n
\section description
\section related
see \ref man_fix_atc
\section default
Gear
none
*/
if (strcmp(arg[argIndex],"gear")==0) {
timeIntegrationType_ = GEAR;