Feat pair wavefunction#2

Merged

Duumbo merged 16 commits intomainfrom

feat-pair-wavefunction

Mar 7, 2025

Commits on Nov 13, 2024

(BREAKING CHANGE) Compact matrix jastrow coefficients
Dimitri Bonanni-Surprenant
committed
Merge pull request #1 from Duumbo/main
Duumbo
authored

Commits on Nov 14, 2024

(feat) Construct internal product matrix only from pair wavefunction
Dimitri Bonanni-Surprenant
committed
(fix) Offset not required
Dimitri Bonanni-Surprenant
committed

Commits on Feb 3, 2025

(test) Testing convergence on pair-wavefunction
Dimitri Bonanni-Surprenant
committed
(refactor) Refactored the MC loop
Dimitri Bonanni-Surprenant
committed
(feat) Better random generation.
Dimitri Bonanni-Surprenant
committed

Commits on Feb 4, 2025

(test) Testing the derivatives computed from the MC sum
Dimitri Bonanni-Surprenant
committed

Commits on Feb 6, 2025

(test) Test pairwf derivatives
Dimitri Bonanni-Surprenant
committed

Commits on Mar 3, 2025

(fix): Normalisation of <O> and <HO>
Dimitri Bonanni-Surprenant
committed

Commits on Mar 7, 2025

(feat) Pair-WaveFunction converge
Dimitri Bonanni-Surprenant
committed
(test) Test analytical for derivatives.
Dimitri Bonanni-Surprenant
committed
(style) Fixed warnings, mostly unused variables.
Dimitri Bonanni-Surprenant
committed
(style) Remove writing to file from monte-carlo sum.
Dimitri Bonanni-Surprenant
committed
(fix) Github Workflows can't find intelmkl
Dimitri Bonanni-Surprenant
committed
(fix) Github workflow can't find lapack and blas, trying version bump.
Dimitri Bonanni-Surprenant
committed