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Add truncated Coulomb support to libint and expose it to Engine - #434

Merged

evaleev merged 11 commits into

evaleev:masterfrom

RTChou67:TC-libint

Oct 26, 2026

Merged

Add truncated Coulomb support to libint and expose it to Engine#434
evaleev merged 11 commits into
evaleev:masterfrom
RTChou67:TC-libint

Commits on Oct 26, 2026
- FmEval_Chebyshev7: use the asymptotic branch at the table endpoint T = T_crit
  
  RTChou67
  authored and
  evaleev
  committed
  ab3908d
- Add truncated Coulomb operator theta(Rc - r12)/r12
  
  RTChou67
  authored and
  evaleev
  committed
  a314bd1
- truncated Coulomb: drop the _v2 suffix
  evaleev
  committed
  0a78605
- truncated Coulomb: use std::fma only where it is a hardware instruction
  evaleev
  committed
  62c8e16
- truncated Coulomb: test integral accuracy across the cutoff transition
  evaleev
  committed
  668acbd
- truncated Coulomb: make the evaluator an Engine core evaluator with scratch
  evaleev
  committed
  5883429
- truncated Coulomb: compile the kernel with IEEE floating-point semantics
  evaleev
  committed
  15a87a8
- truncated Coulomb: relative Boys/zero limits; well-conditioned G0 near R = sqrt(T)
  evaleev
  committed
  2707288
- truncated Coulomb: compile the kernel without FMA contraction
  evaleev
  committed
  7a9433e
- truncated Coulomb: double-word origin expansion instead of Miller for T < n+1/2
  evaleev
  committed
  9865621
- truncated Coulomb: compile as C++11
  evaleev
  committed
  725fe38