git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6452 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -336,7 +336,7 @@ void FixShakeCuda::init()
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// could have changed locations in fix list since created
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// set ptrs to rRESPA variables
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if (strcmp(update->integrate_style,"respa") == 0) {
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if (strstr(update->integrate_style,"respa")) {
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for (i = 0; i < modify->nfix; i++)
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if (strcmp(modify->fix[i]->style,"RESPA") == 0) ifix_respa = i;
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nlevels_respa = ((Respa *) update->integrate)->nlevels;
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@ -431,7 +431,7 @@ void FixShakeCuda::setup(int vflag)
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// half timestep constraint on pre-step, full timestep thereafter
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if (strcmp(update->integrate_style,"verlet") == 0) {
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if (strstr(update->integrate_style,"verlet")) {
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dtv = update->dt;
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dtfsq = 0.5 * update->dt * update->dt * force->ftm2v;
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post_force(vflag);
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@ -2603,7 +2603,7 @@ void FixShakeCuda::unpack_comm(int n, int first, double *buf)
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void FixShakeCuda::reset_dt()
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{
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if (strcmp(update->integrate_style,"verlet") == 0) {
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if (strstr(update->integrate_style,"verlet")) {
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dtv = update->dt;
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dtfsq = update->dt * update->dt * force->ftm2v;
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} else {
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