Sentence examples for atoms were allowed from inspiring English sources

All atoms were allowed to relax fully for energy minimization.

First, only the hydrogen atoms were allowed to move.

In addition, terminal atoms were allowed as center atoms of atom environments.

All atoms were allowed to relax during energy minimizations, and no symmetry constraints were applied.

In different geometry optimizations of two-dimensional periodic slab, the lattice constants were fixed at these values, while the positions of all of the Ti, Ni, and O atoms were allowed to vary. Figure 7 shows the surface sites model.

All non-H atoms were allowed anisotropic thermal motion.

The vibrational stretching frequency of a bond between two atoms, for example, gives an approximate measure of the bonding forces holding those two atoms together, the effective masses of the two atoms being allowed for.

Atoms are allowed to occur multiple times in the sequences, thus rings may lead to infinitely long sequences.

This is followed by the equilibration period (500-1000 ps) in which the velocity-scaling is removed and the argon atoms are allowed to move freely and equilibrate.

The atoms are allowed to interact with each other and various quantities such as pressure, temperature, energy, and so on are calculated.

A key parameter for this technique is the diffusion time, which is the period during which the atoms are allowed to diffuse within the lung for measurement of the signal attenuation.