Man pages for npetraco/che302r
Handy functions for CHEM 302, Physical Chemistry II
| approx.normalize | Approximate 1D normalization |
| atom2color | XXXX |
| atom.colors | XXXX |
| boltz.fac | Boltzmann factor |
| constants | Constants |
| dsi | Double slit intensity function |
| logsumexp | Log sum exp trick |
| multinom | multinomial coefficient |
| numerov.procedure | Numerov's procedure |
| oscillation.f | XXXX |
| piab.energy | Particle in a box energy |
| planck.distribution | Plank distribution as a function of wavenumber, wavelength or... |
| planck.distribution.lambda | Plank distribution as a function of wavelength. |
| planck.distribution.nu | Plank distribution as a function of frequency. |
| planck.distribution.nutilde | Plank distribution as a function of wavenumber. |
| sample.density2 | Importance sample orbital density |
| sample.orbital.density | Sample the wave function's density using a choice of... |
| sample.orbital.density.ais | Sample the wave function's density using AIS |
| sample.orbital.density.ais.parallel | Sample the wave function's density using AIS in parallel |
| sample.orbital.density.mcmc | MCMC sample orbital density |
| sample.orbital.density.mcmc.parallel | MCMC sample orbital density in separate processes |
| ssi | Single slit intensity function |
| update_che302r | Update che302r package |
| V | Potential energy function for use with Numerov's procedure |
