feat: initial dice-wrapper structure and working prototype

This commit is contained in:
2026-03-16 00:11:07 -03:00
parent 6a154429e9
commit 30be88e6b4
8 changed files with 174 additions and 25 deletions

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@@ -4,13 +4,13 @@ diceplayer:
max_cyc: 5
mem: 24
ncores: 5
nprocs: 4
qmprog: 'g16'
lps: no
ghosts: no
altsteps: 2000
dice:
nprocs: 4
nmol: [1, 100]
dens: 1.5
nstep: [2000, 3000]