Lines Matching refs:Ccoeff
55 if (Ccoeff[i]) delete[] Ccoeff[i]; in ~DihedralSpherical()
66 delete[] Ccoeff; in ~DihedralSpherical()
573 energy += Ccoeff[i][j] * (phi_offset[i][j] - cp) * (theta1_offset[i][j] - ct1) * in CalcGeneralizedForces()
577 *m_du_dphi += -Ccoeff[i][j] * sp * phi_mult[i][j] * (theta1_offset[i][j] - ct1) * in CalcGeneralizedForces()
580 *m_du_dth1 += -Ccoeff[i][j] * (phi_offset[i][j] - cp) * st1 * theta1_mult[i][j] * in CalcGeneralizedForces()
583 *m_du_dth2 += -Ccoeff[i][j] * (phi_offset[i][j] - cp) * (theta1_offset[i][j] - ct1) * st2 * in CalcGeneralizedForces()
609 Ccoeff = new double *[n]; in allocate()
620 Ccoeff[i] = nullptr; in allocate()
658 delete[] Ccoeff[i]; in coeff()
668 Ccoeff[i] = new double[nterms_one]; in coeff()
680 Ccoeff[i][j] = utils::numeric(FLERR, arg[offset + 1], false, lmp); in coeff()
706 fwrite(Ccoeff[i], sizeof(double), nterms[i], fp); in write_restart()
734 Ccoeff[i] = new double[nterms[i]]; in read_restart()
748 utils::sfread(FLERR, Ccoeff[i], sizeof(double), nterms[i], fp, nullptr, error); in read_restart()
762 MPI_Bcast(Ccoeff[i], nterms[i], MPI_DOUBLE, 0, world); in read_restart()
786 fprintf(fp, "%g %g %g %g %g %g %g %g %g %g ", Ccoeff[i][j], phi_mult[i][j], in write_data()