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Unformat eqn comment

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andysim committed Sep 6, 2018
1 parent 7e38392 commit d70e56245e882f400a93193d900b81ceb0014b68
Showing with 9 additions and 6 deletions.
  1. +9 −6 psi4/src/psi4/psimrcc/mrcc_f_int.cc
@@ -43,15 +43,18 @@ extern FILE* outfile;
namespace psi {
namespace psimrcc {
// clang-format off
/**
* @brief Computes the contractions
* \f[ F_{ae} = (1-\delta_{ae})f_{ae} - \frac{1}{2} \sum_m f_{me} t_m^a + \sum_{mf} t_m^f <ma||fe> - \frac{1}{2}
* \sum_{mnf} \tilde{\tau}_{in}^{af} <mn||ef> \f] \f[ F_{mi} = (1-\delta_{mi})f_{mi} + \frac{1}{2} \sum_e f_{me} t_i^e +
* \sum_{en} t_n^e <mn||ie> + \frac{1}{2} \sum_{nef} \tilde{\tau}_{in}^{ef} <mn||ef> \f] \f[ F_{me} = f_{me} + \sum_{nf}
* t_n^f <mn||ef> \f] \f[ F'_{ae} = F_{ae} - \frac{1}{2} \sum_m t_m^a F_{me} \f] \f[ F'_{mi} = F_{mi} + \frac{1}{2}
* \sum_e t_i^e F_{me} \f] as described in J. Phys. Chem. vol. 94, pg. 4334 (1991). See J. Phys. Chem. vol. 127, 024102
* (2007) supplementary material for the spin-factored equations.
* \f[ F_{ae} = (1-\delta_{ae})f_{ae} - \frac{1}{2} \sum_m f_{me} t_m^a + \sum_{mf} t_m^f <ma||fe> - \frac{1}{2} \sum_{mnf} \tilde{\tau}_{in}^{af} <mn||ef> \f]
* \f[ F_{mi} = (1-\delta_{mi})f_{mi} + \frac{1}{2} \sum_e f_{me} t_i^e + \sum_{en} t_n^e <mn||ie> + \frac{1}{2} \sum_{nef} \tilde{\tau}_{in}^{ef} <mn||ef> \f]
* \f[ F_{me} = f_{me} + \sum_{nf} t_n^f <mn||ef> \f]
* \f[ F'_{ae} = F_{ae} - \frac{1}{2} \sum_m t_m^a F_{me} \f]
* \f[ F'_{mi} = F_{mi} + \frac{1}{2} \sum_e t_i^e F_{me} \f]
* as described in J. Phys. Chem. vol. 94, pg. 4334 (1991).
* See J. Phys. Chem. vol. 127, 024102 (2007) supplementary material for the spin-factored equations.
*/
// clang-format on
void CCMRCC::build_F_intermediates() {
build_F_ae_intermediates();
build_F_AE_intermediates();

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