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Cite Top. Cur. Chem., 380:8 (2022) #232

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add citation in src/mqc/mqc.py
JaeHyeokLee98 Oct 16, 2023
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add citation in docs/source/overview.rst
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2 changes: 2 additions & 0 deletions docs/source/overview.rst
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Expand Up @@ -49,6 +49,8 @@ Please cite the following work when publishing results from PyUNIxMD program:

\I. S. Lee, J.-K. Ha, D. Han, T. I. Kim, S. W. Moon, & S. K. Min. (2021). PyUNIxMD: A Python-based excited state molecular dynamics package. Journal of Computational Chemistry, 42:1755-1766. 2021

\T. I. Kim, J.-K. Ha, & S. K. Min. (2022). Coupled- and independent-trajectory approaches based on the exact factorization using the PyUNIxMD package. Topics in Current Chemistry, 380:153-179. 2022

..
Acknowledgement
---------------------------
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5 changes: 5 additions & 0 deletions src/mqc/mqc.py
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Expand Up @@ -261,6 +261,11 @@ def print_init(self, qm, mm, restart):
{" " * 4}PyUNIxMD: A Python-based excited state molecular dynamics package.
{" " * 4}Journal of Computational Chemistry, 42:1755-1766. 2021

{" " * 4}T. I. Kim, J.-K. Ha, & S. K. Min.
{" " * 4}Coupled- and independent-trajectory approaches based on the exact
{" " * 4}factorization using the PyUNIxMD package.
{" " * 4}Topics in Current Chemistry, 380:153-179. 2022

{" " * 4}PyUNIxMD begins on {cur_time}
""")
print (prog_info, flush=True)
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