Axel Kohlmeyer 0b73ab96d2 avoid replicated code, consolidate variables and element mapping

2021-03-27 12:09:36 -04:00

..

compute_sna_atom.cpp

more typecasts to double to avoid 32-bit int overflows when computing memory usage

2021-02-04 14:35:38 -05:00

compute_sna_atom.h

Refactored chemsnap input options

2020-06-13 12:50:01 -06:00

compute_snad_atom.cpp

more typecasts to double to avoid 32-bit int overflows when computing memory usage

2021-02-04 14:35:38 -05:00

compute_snad_atom.h

Refactored chemsnap input options

2020-06-13 12:50:01 -06:00

compute_snap.cpp

more typecasts to double to avoid 32-bit int overflows when computing memory usage

2021-02-04 14:35:38 -05:00

compute_snap.h

Refactored chemsnap input options

2020-06-13 12:50:01 -06:00

compute_snav_atom.cpp

more typecasts to double to avoid 32-bit int overflows when computing memory usage

2021-02-04 14:35:38 -05:00

compute_snav_atom.h

Refactored chemsnap input options

2020-06-13 12:50:01 -06:00

pair_snap.cpp

avoid replicated code, consolidate variables and element mapping

2021-03-27 12:09:36 -04:00

pair_snap.h

avoid replicated code, consolidate variables and element mapping

2021-03-27 12:09:36 -04:00

sna.cpp

add typecast to avoid (unlikely but possible) integer overflows.

2021-02-02 17:27:04 -05:00

sna.h

consolidate multiple factorial() function definitions into MathSpecial::factorial()

2020-12-17 12:47:04 -05:00