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Commit 060a489

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modify the check
1 parent 6197143 commit 060a489

1 file changed

Lines changed: 3 additions & 3 deletions

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src/integrate/integrate.cu

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -57,12 +57,12 @@ void Integrate::initialize(
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if (fixed_group < 0) {
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PRINT_INPUT_ERROR("It is not allowed to have moving group but no fixed group.");
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}
60-
if (move_group == fixed_group && move_grouping_method == fixed_grouping_method) {
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PRINT_INPUT_ERROR("The fixed and moving groups cannot be the same.");
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}
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if (fixed_grouping_method != move_grouping_method) {
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PRINT_INPUT_ERROR("The fixed and moving groups must use the same grouping method.");
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}
63+
if (move_group == fixed_group) {
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PRINT_INPUT_ERROR("The fixed and moving groups cannot be the same.");
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}
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if (type != 1 && type != 2 && type != 4 && type != 22) {
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PRINT_INPUT_ERROR(
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"It is only allowed to use nvt_ber, nvt_nhc, or nvt_bdp with a moving group.");

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