74f2b67b1a
no if statement required before delete[]
2022-04-10 19:55:24 -04:00
200b4f13c7
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
12eeaee8a4
Correct bug in PairHybridScaled::single
2022-02-16 13:48:10 -05:00
49dca516ea
simplify API of Force::store_style()
2022-01-20 16:48:44 -05:00
be7e6d0939
Avoid std::string copies
2022-01-18 13:22:55 -05:00
b3c8f85ff9
make sure the one_coeff flag is applied to sub-styles
...
since the check for Pair::one_coeff was moved to the Input class (to
reduce redundant code), hybrid substyles could "escape" that requirement.
Thus checks have to be added to the hybrid coeff() methods.
2021-09-28 04:39:46 -04:00
385220fd4b
format changes
2021-09-17 22:50:15 -04:00
04c7e7543e
use friend statement instead of (incorrect) cast to give access to protected class member
2021-08-02 21:34:30 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
e9e0bb71b6
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
8aed7e55b3
add error check when updating variables in ::single() function
2021-04-13 14:59:37 -04:00
b9cb63ae56
remove redundant check
2021-04-13 00:47:58 -04:00
0d325f2221
error out when scale factor variables do not exist
2021-04-09 22:50:16 -04:00
d507c57c8a
add missing zeroing of the torque array, reformat code
2021-04-09 09:45:09 -04:00
4c23ecfd4f
error out on special atom styles
2021-04-09 00:47:22 -04:00
de158c40ad
add support for torque
2021-04-09 00:38:58 -04:00
ae27d3bf4c
add support for single() and read/write_restart()
2021-04-09 00:31:43 -04:00
8ed6d80b85
first working version, forces only, no restart
2021-04-08 21:25:38 -04:00
c660dcefd2
add minimal framework for pair style hybrid/scaled
2021-04-08 17:42:32 -04:00
