[dropbox_link]

09ex

Extract f09p.dat (Trajectrory) to real form

f09l

Extract f09v.dat (temperature, pressure, etc) to gnuplot-easy form

acfp & acfint

Calculates acf of off-diagonal stress using mpi, and its integrator(serial)

bondp

Analizes bond dynamics of silicates using mpi
[see this article (Noritake, 2021)]

hydration

Calculates structure of silicate-water complexes.
[see this article (Noritake+, 2022)]

mdmsdp & msdfit

Calculates msd using mpi, and its fitter(serial)

mdvhp

Calculates van Hove function (both self and distinct) using mpi

mxdortop_fn

MD code made by Dr. Katsuyuki Kawamura, optimized by Dr. Hiroshi Sakuma.
This is variant, some potentials (contains some 3-bodys) & some options are added.
2-body
van Beest-Kramer-Santen type + Saika-Voivodo type wall
Pedone type function
3-body
Garofalini-Feuston type
Mahadevan-Sun-Du type
Bertani-Menziani-Pedone type (still adjusting)

pcflarge

Calculates pcf, rcn, partial S(Q), and X-ray total S(Q).
Some compilers give us NAN in pcf, this is because of handling hoge(:,i).
Specific writing using do block might be help you.

toa

Calculates tetrahedral cation-related bonding angle

simplex

Calculates oxygen simplex and etc.
[see this article (Noritake, 2017)]