From ce395076b373ca2616e11858af8742e88b74ad1f Mon Sep 17 00:00:00 2001 From: Lester Hedges Date: Tue, 23 Jan 2024 16:02:07 +0000 Subject: [PATCH] Clarify unit of energy_frequency. --- README.md | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index c13883a..2849af2 100644 --- a/README.md +++ b/README.md @@ -209,10 +209,10 @@ are electron charge. Energies can be written to a file using the `--energy-file` command-line argument or the `EMLE_ENERGY_FILE` environment variable. The frequency of logging can be specified using `--energy-frequency` or `EMLE_ENERGY_FREQUENCY`. This should be an -integer specifying the frequency at which energies are written. (The default is -0, which means that energies aren't logged.) The output will look something like -the following, where the columns specify the current step, the in vacuo energy -and the total energy. +integer specifying the frequency, in integration steps, at which energies are +written. (The default is 0, which means that energies aren't logged.) The output +will look something like the following, where the columns specify the current +step, the in vacuo energy and the total energy. General log messages are written to the file specified by the `--log-file` or `EMLE_LOG_FILE` options. (By default, no log file is used and diagnostic messages