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another change to fix poems

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This commit is contained in:
Steven J. Plimpton
2018-05-05 10:52:39 -06:00
parent 0c53afbfcf
commit 9acd35abe2
1 changed files with 22 additions and 1 deletions
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23
src/POEMS/fix_poems.cpp
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@ -714,7 +714,8 @@ void FixPOEMS::setup(int vflag)
// use post_force() to compute initial fcm & torque
post_force(vflag);
compute_forces_and_torques();
//post_force(vflag);
// setup for POEMS
@ -750,6 +751,16 @@ void FixPOEMS::initial_integrate(int vflag)
void FixPOEMS::post_force(int vflag)
{
if (earlyflag) compute_forces_and_torques();
/*
for (int ibody = 0; ibody < nbody; ibody++) {
if (ibody == 0) {
printf("PFF %d %g %g %g\n",ibody,fcm[ibody][0],fcm[ibody][1],fcm[ibody][2]);
printf("PFT %d %g %g %g\n",ibody,
torque[ibody][0],torque[ibody][1],torque[ibody][2]);
}
}
*/
}
/* ----------------------------------------------------------------------
@ -817,6 +828,16 @@ void FixPOEMS::final_integrate()
{
if (!earlyflag) compute_forces_and_torques();
/*
for (int ibody = 0; ibody < nbody; ibody++) {
if (ibody == 0) {
printf("FI %d %g %g %g\n",ibody,fcm[ibody][0],fcm[ibody][1],fcm[ibody][2]);
printf("TQ %d %g %g %g\n",ibody,
torque[ibody][0],torque[ibody][1],torque[ibody][2]);
}
}
*/
// perform POEMS integration
poems->LobattoTwo(vcm,omega,torque,fcm);