Releases
17.060
m3g
released this
01 Mar 14:23
Changed version file to 17.060
removed gmd, gss_maxmin, and gssfree, which not relevant anymore with the new gss
fixed calculation of phi_atom_contribution
added computation and printing of gss distributions and gss contributions per atom
several code cleanups and picks only bulk molecules for random distribution
moved printing of density averages
changed normalization at the end by 1/rho_bulk and computation of density_fix
fixed allocation of ysort in data_average
moved scaling by density fix to end
added skip in kb if random count is zero
new simplified normalization for gss
fixed bug in min/max setting in histogram
prints atom kbs in gss
simplification of some calculations in gss
improved Makefile
various changes in gmd and ahestetic fix in gss
fixes in gmd, perhaps done. needs testing
gmd compiles, to be tested
added gmd module (which will probably substitute gss later)
You can’t perform that action at this time.