Loading doc/src/Packages_details.txt +6 −1 Original line number Diff line number Diff line Loading @@ -1700,14 +1700,19 @@ USER-PHONON package :link(PKG-USER-PHONON),h4 A "fix phonon"_fix_phonon.html command that calculates dynamical matrices, which can then be used to compute phonon dispersion relations, directly from molecular dynamics simulations. And a "dynamical_matrix" command to compute the dynamical matrix from finite differences. [Authors:] Ling-Ti Kong (Shanghai Jiao Tong University) for "fix phonon" and Charlie Sievers (UC Davis) for "dynamical_matrix" [Author:] Ling-Ti Kong (Shanghai Jiao Tong University). [Supporting info:] src/USER-PHONON: filenames -> commands src/USER-PHONON/README "fix phonon"_fix_phonon.html "dynamical_matrix"_dynamical_matrix.html examples/USER/phonon :ul :line Loading src/USER-PHONON/README +2 −1 Original line number Diff line number Diff line Loading @@ -30,4 +30,5 @@ sjtu.edu.cn) at Shanghai Jiao Tong University. Contact him directly if you have questions. The person who created the dynamical_matrix command is Charlie Sievers at UC Davis. Contact him directly if you have questions about his code. (charliesievers at cox.net) at UC Davis. Contact him directly if you have questions about his code. Loading
doc/src/Packages_details.txt +6 −1 Original line number Diff line number Diff line Loading @@ -1700,14 +1700,19 @@ USER-PHONON package :link(PKG-USER-PHONON),h4 A "fix phonon"_fix_phonon.html command that calculates dynamical matrices, which can then be used to compute phonon dispersion relations, directly from molecular dynamics simulations. And a "dynamical_matrix" command to compute the dynamical matrix from finite differences. [Authors:] Ling-Ti Kong (Shanghai Jiao Tong University) for "fix phonon" and Charlie Sievers (UC Davis) for "dynamical_matrix" [Author:] Ling-Ti Kong (Shanghai Jiao Tong University). [Supporting info:] src/USER-PHONON: filenames -> commands src/USER-PHONON/README "fix phonon"_fix_phonon.html "dynamical_matrix"_dynamical_matrix.html examples/USER/phonon :ul :line Loading
src/USER-PHONON/README +2 −1 Original line number Diff line number Diff line Loading @@ -30,4 +30,5 @@ sjtu.edu.cn) at Shanghai Jiao Tong University. Contact him directly if you have questions. The person who created the dynamical_matrix command is Charlie Sievers at UC Davis. Contact him directly if you have questions about his code. (charliesievers at cox.net) at UC Davis. Contact him directly if you have questions about his code.
