this is for holding javascript data
David Koes Deleted File
about 8 years ago
Commit id: 8fedda7a580b7a1ce2e58a3c2ab1b77fdd39a88e
deletions | additions
diff --git a/MPQC_massively_parallel_quantum_chemistry__.tex b/MPQC_massively_parallel_quantum_chemistry__.tex
deleted file mode 100644
index efd9f42..0000000
--- a/MPQC_massively_parallel_quantum_chemistry__.tex
+++ /dev/null
...
MPQC (massively parallel quantum chemistry program) is a quantum chemical software that offers many features including closed shell, unrestricted and general restricted open shell Hartree-Fock energies and gradients, closed shell, unrestricted and general restricted open shell density functional theory energies and gradients, second order open shell perturbation theory (OPT2[2]) and Z-averaged perturbation theory (ZAPT2) energies and many more.
