quantum-espresso/PW
Leonid Kahle 01f11169ed This resolves #127. The target temperature is now updated using the previous (target) temperature of the thermostat.
This avoids the weird effect of reducing based on the instantaneous temperature.
In addition, it is now allowed for delta_T to be positive or negative, so that the option reduce_T can be used to increase or reduce the temperature.
I would suggest allowing for additional names (as in augment_T etc), but this should be a separate issue, and a separate commit.
Documentation (PW_INPUT.def) updated in this commit as well
2019-09-10 17:27:58 +01:00
..
Doc This resolves #127. The target temperature is now updated using the previous (target) temperature of the thermostat. 2019-09-10 17:27:58 +01:00
Ford Ford on everything was too ambitious ... 2017-01-10 16:40:56 +00:00
examples [Skip-CI] ATOMIC_POSITIONS and CELL_PARAMETERS cards without units are 2019-02-23 22:45:29 +01:00
src This resolves #127. The target temperature is now updated using the previous (target) temperature of the thermostat. 2019-09-10 17:27:58 +01:00
tools Small fixes for XLF compilation 2019-08-22 09:11:55 +02:00
Makefile
pw.md Files for Ford documentation (slightly) updated, with removal of references 2019-03-29 11:32:34 +01:00